4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine

C67H71ClN18O7S2 — CID 164963326

IUPAC4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCOC(=O)c1ccc(C)cc1N.Cc1ccc2c(=O)[nH]c(-c3ccncc3)nc2c1.Cc1ccc2c(Cl)nc(-c3ccncc3)nc2c1.Cc1ccc2c(N3CC(CCNS(N)(=O)=O)C3)nc(-c3cccnc3)nc2c1.N#Cc1cccnc1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C19H22N6O2S.C14H10ClN3.C14H11N3O.C9H11NO2.C6H4N2.C5H13N3O2S/c1-13-4-5-16-17(9-13)23-18(15-3-2-7-21-10-15)24-19(16)25-11-14(12-25)6-8-22-28(20,26)27;1-9-2-3-11-12(8-9)17-14(18-13(11)15)10-4-6-16-7-5-10;1-9-2-3-11-12(8-9)16-13(17-14(11)18)10-4-6-15-7-5-10;1-6-3-4-7(8(10)5-6)9(11)12-2;7-4-6-2-1-3-8-5-6;6-11(9,10)8-2-1-5-3-7-4-5/h2-5,7,9-10,14,22H,6,8,11-12H2,1H3,(H2,20,26,27);2-8H,1H3;2-8H,1H3,(H,16,17,18);3-5H,10H2,1-2H3;1-3,5H;5,7-8H,1-4H2,(H2,6,9,10)
InChIKeyCDCKVOZNTGGHCT-UHFFFAOYSA-N
MW1340.01 g/mol
LogP8.27
Rot. Bonds13

About 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine

4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine (PubChem CID 164963326) has the molecular formula C67H71ClN18O7S2 and a molecular weight of 1340.01 g/mol. Its IUPAC name is 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine.

Molecular Properties

Compound Name4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine
PubChem CID164963326
Molecular FormulaC67H71ClN18O7S2
Molecular Weight1340.01 g/mol
Exact Mass1338.49
IUPAC Name4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCOC(=O)c1ccc(C)cc1N.Cc1ccc2c(=O)[nH]c(-c3ccncc3)nc2c1.Cc1ccc2c(Cl)nc(-c3ccncc3)nc2c1.Cc1ccc2c(N3CC(CCNS(N)(=O)=O)C3)nc(-c3cccnc3)nc2c1.N#Cc1cccnc1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C19H22N6O2S.C14H10ClN3.C14H11N3O.C9H11NO2.C6H4N2.C5H13N3O2S/c1-13-4-5-16-17(9-13)23-18(15-3-2-7-21-10-15)24-19(16)25-11-14(12-25)6-8-22-28(20,26)27;1-9-2-3-11-12(8-9)17-14(18-13(11)15)10-4-6-16-7-5-10;1-9-2-3-11-12(8-9)16-13(17-14(11)18)10-4-6-15-7-5-10;1-6-3-4-7(8(10)5-6)9(11)12-2;7-4-6-2-1-3-8-5-6;6-11(9,10)8-2-1-5-3-7-4-5/h2-5,7,9-10,14,22H,6,8,11-12H2,1H3,(H2,20,26,27);2-8H,1H3;2-8H,1H3,(H,16,17,18);3-5H,10H2,1-2H3;1-3,5H;5,7-8H,1-4H2,(H2,6,9,10)
InChIKeyCDCKVOZNTGGHCT-UHFFFAOYSA-N
XLogP8.27
TPSA384.63 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001340.01
LogP ≤ 58.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine with MolForge

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Related Compounds

tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(2-chloro-6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(2-chloro-6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;2-[1-(2-chloro-6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethanamine;2,4-dichloro-6,7-dimethylquinazoline;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;6,7-dimethyl-2-oxo-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]-1H-quinazoline;6,7-dimethyl-1H-quinazoline-2,4-dione;methyl 2-amino-4,5-dimethylbenzoate;phosphoryl trichloride;2,2,2-trifluoroacetic acid;urea;hydrochloride
CID 165094512
dimethyl 2-aminobenzene-1,4-dicarboxylate;dimethyl 2-(carbamoylamino)benzene-1,4-dicarboxylate;ethane;methyl 2-chloroquinazoline-7-carboxylate;methyl 2,4-dichloroquinazoline-7-carboxylate;methyl 2,4-dioxo-1H-quinazoline-7-carboxylate;methyl 2-methylquinazoline-7-carboxylate;2-methylquinazoline-7-carboxylic acid;1-(2-methylquinazolin-7-yl)ethanone;hydroiodide
CID 159035420
3-Aminobenzonitrile;2-bromopyridine;methyl 4-chloroquinazoline-8-carboxylate;methyl 4-[[3-(pyridin-2-ylmethyl)phenyl]methylamino]quinazoline-8-carboxylate;3-(pyridin-2-ylmethyl)benzonitrile;[3-(pyridin-2-ylmethyl)phenyl]methanamine;4-[[3-(pyridin-2-ylmethyl)phenyl]methylamino]quinazoline-8-carboxamide;hydrochloride
CID 160681131
4-chloro-2-cyclopropyl-6,7-dimethylquinazoline;cyclopropanecarbonitrile;2-cyclopropyl-6,7-dimethyl-3H-quinazolin-4-one;2-cyclopropyl-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methane;methyl 2-amino-4,5-dimethylbenzoate;phosphoryl trichloride;3-[2-(sulfamoylamino)ethyl]azetidine
CID 164974159
4-chloro-2-(4-fluorophenyl)-6,7-dimethylquinazoline;4-fluorobenzonitrile;2-(4-fluorophenyl)-6,7-dimethyl-3H-quinazolin-4-one;2-(4-fluorophenyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
CID 164977026
benzonitrile;4-chloro-6,7-dimethyl-2-phenylquinazoline;6,7-dimethyl-2-phenyl-3H-quinazolin-4-one;6,7-dimethyl-2-phenyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methane;methyl 2-amino-4,5-dimethylbenzoate;phosphoryl trichloride;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165004709
adamantane-1-carbonitrile;2-(1-adamantyl)-4-chloro-7-methylquinazoline;2-(1-adamantyl)-7-methyl-3H-quinazolin-4-one;2-(1-adamantyl)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-amino-4-methylbenzoic acid;methyl 2-amino-4-methylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165005598
2-amino-5-fluoro-4-methylbenzoic acid;2-amino-4-methylbenzoic acid;4-chloro-6-fluoro-7-methylquinazoline;6-fluoro-7-methyl-3H-quinazolin-4-one;6-fluoro-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methane;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165059375
sodium;4-chloro-2,6,7-trimethylquinazoline;ethanimidamide;methane;methyl 2-amino-4,5-dimethylbenzoate;phosphoryl trichloride;3-[2-(sulfamoylamino)ethyl]azetidine;2,6,7-trimethyl-3H-quinazolin-4-one;2,6,7-trimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;acetate;hydrochloride
CID 165079823
4-chloro-6,7-dimethyl-2-pyridin-4-ylquinazoline;6,7-dimethyl-2-pyridin-4-yl-3H-quinazolin-4-one;6,7-dimethyl-2-pyridin-4-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;pyridine-4-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165083751
4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165092909

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine?
The IUPAC name of 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine (CID 164963326) is 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine.
What is the SMILES notation for 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine?
The canonical SMILES for 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine is COC(=O)c1ccc(C)cc1N.Cc1ccc2c(=O)[nH]c(-c3ccncc3)nc2c1.Cc1ccc2c(Cl)nc(-c3ccncc3)nc2c1.Cc1ccc2c(N3CC(CCNS(N)(=O)=O)C3)nc(-c3cccnc3)nc2c1.N#Cc1cccnc1.NS(=O)(=O)NCCC1CNC1.
What is the InChIKey of 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine?
The InChIKey is CDCKVOZNTGGHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S.C14H10ClN3.C14H11N3O.C9H11NO2.C6H4N2.C5H13N3O2S/c1-13-4-5-16-17(9-13)23-18(15-3-2-7-21-10-15)24-19(16)25-11-14(12-25)6-8-22-28(20,26)27;1-9-2-3-11-12(8-9)17-14(18-13(11)15)10-4-6-16-7-5-10;1-9-2-3-11-12(8-9)16-13(17-14(11)18)10-4-6-15-7-5-10;1-6-3-4-7(8(10)5-6)9(11)12-2;7-4-6-2-1-3-8-5-6;6-11(9,10)8-2-1-5-3-7-4-5/h2-5,7,9-10,14,22H,6,8,11-12H2,1H3,(H2,20,26,27);2-8H,1H3;2-8H,1H3,(H,16,17,18);3-5H,10H2,1-2H3;1-3,5H;5,7-8H,1-4H2,(H2,6,9,10).
What are the key properties of 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine?
4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine has a molecular weight of 1340.01 g/mol, XLogP of 8.27, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methyl-2-pyridin-4-ylquinazoline;methyl 2-amino-4-methylbenzoate;7-methyl-2-pyridin-4-yl-3H-quinazolin-4-one;7-methyl-2-pyridin-3-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;pyridine-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine is sourced from PubChem (CID 164963326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).