3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide

C32H41ClN8O4 — CID 165038513

IUPAC3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide
SMILESCc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(CCC(=O)NO)C3)c2cc1C.O=C(CCC1CNC1)NO
InChIInChI=1S/C16H20N4O2.C10H9ClN2.C6H12N2O2/c1-10-5-13-14(6-11(10)2)17-9-18-16(13)20-7-12(8-20)3-4-15(21)19-22;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;9-6(8-10)2-1-5-3-7-4-5/h5-6,9,12,22H,3-4,7-8H2,1-2H3,(H,19,21);3-5H,1-2H3;5,7,10H,1-4H2,(H,8,9)
InChIKeyNTGRLOSSDUTWAO-UHFFFAOYSA-N
MW637.19 g/mol
LogP4.36
Rot. Bonds7

About 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide

3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide (PubChem CID 165038513) has the molecular formula C32H41ClN8O4 and a molecular weight of 637.19 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide
PubChem CID165038513
Molecular FormulaC32H41ClN8O4
Molecular Weight637.19 g/mol
Exact Mass636.29
IUPAC Name3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide
SMILESCc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(CCC(=O)NO)C3)c2cc1C.O=C(CCC1CNC1)NO
InChIInChI=1S/C16H20N4O2.C10H9ClN2.C6H12N2O2/c1-10-5-13-14(6-11(10)2)17-9-18-16(13)20-7-12(8-20)3-4-15(21)19-22;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;9-6(8-10)2-1-5-3-7-4-5/h5-6,9,12,22H,3-4,7-8H2,1-2H3,(H,19,21);3-5H,1-2H3;5,7,10H,1-4H2,(H,8,9)
InChIKeyNTGRLOSSDUTWAO-UHFFFAOYSA-N
XLogP4.36
TPSA165.49 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.19
LogP ≤ 54.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetyl chloride;2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethanamine;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 165065974
N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane
CID 165097146
1-[4-[[4-(3-Chloro-4-fluoroanilino)-7-methylquinazolin-6-yl]methyl]cyclohexyl]piperidin-2-one
CID 142811074
1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide
CID 130377657
2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide
CID 130377664
1-[4-[[4-(3-Chloro-4-fluoroanilino)-7-methylquinazolin-6-yl]methyl]cyclohexyl]piperidin-2-one;ethane
CID 142811073
acetamide;6-amino-3,4-dimethylcyclohexa-2,4-diene-1-carboxylic acid;4-chloro-2,6,7-trimethylquinazoline;methanamine;N,2,6,7-tetramethylquinazolin-4-amine;2,6,7-trimethyl-4a,8a-dihydro-3H-quinazolin-4-one
CID 157652237
aniline;4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;tetrahydrate
CID 159015339
aniline;4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane;propane;tetrahydrate
CID 159688027
aniline;4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane;tetrahydrate
CID 160556120
butane-1,4-diamine;4-chloro-6,7-dimethylquinazoline;N'-(6,7-dimethylquinazolin-4-yl)butane-1,4-diamine
CID 160770131
aniline;4-chloro-6,7-dimethylquinazoline;6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;ethyne;tetrahydrate
CID 161057088

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide?
The IUPAC name of 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide (CID 165038513) is 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide is Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC(CCC(=O)NO)C3)c2cc1C.O=C(CCC1CNC1)NO.
What is the InChIKey of 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide?
The InChIKey is NTGRLOSSDUTWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.C10H9ClN2.C6H12N2O2/c1-10-5-13-14(6-11(10)2)17-9-18-16(13)20-7-12(8-20)3-4-15(21)19-22;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;9-6(8-10)2-1-5-3-7-4-5/h5-6,9,12,22H,3-4,7-8H2,1-2H3,(H,19,21);3-5H,1-2H3;5,7,10H,1-4H2,(H,8,9).
What are the key properties of 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide?
3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide has a molecular weight of 637.19 g/mol, XLogP of 4.36, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-N-hydroxypropanamide;4-chloro-6,7-dimethylquinazoline;3-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]-N-hydroxypropanamide is sourced from PubChem (CID 165038513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).