3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C71H71BBrCl2N11O5 — CID 159717445

IUPAC3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(Cl)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCNc3ccccc3)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1.Clc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C27H27N5O.C19H16ClN3O.C17H24BNO3.C8H4BrClN2/c1-18-7-8-20(26(33)31-23-10-11-23)16-24(18)19-9-12-25-21(15-19)17-30-27(32-25)29-14-13-28-22-5-3-2-4-6-22;1-11-2-3-13(18(24)22-15-5-6-15)9-16(11)12-4-7-17-14(8-12)10-21-19(20)23-17;1-11-6-7-12(15(20)19-13-8-9-13)10-14(11)18-21-16(2,3)17(4,5)22-18;9-6-1-2-7-5(3-6)4-11-8(10)12-7/h2-9,12,15-17,23,28H,10-11,13-14H2,1H3,(H,31,33)(H,29,30,32);2-4,7-10,15H,5-6H2,1H3,(H,22,24);6-7,10,13H,8-9H2,1-5H3,(H,19,20);1-4H
InChIKeyMZPLXLPKXUYLMU-UHFFFAOYSA-N
MW1320.04 g/mol
LogP14.40
Rot. Bonds14

About 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 159717445) has the molecular formula C71H71BBrCl2N11O5 and a molecular weight of 1320.04 g/mol. Its IUPAC name is 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound Name3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID159717445
Molecular FormulaC71H71BBrCl2N11O5
Molecular Weight1320.04 g/mol
Exact Mass1317.43
IUPAC Name3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(Cl)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCNc3ccccc3)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1.Clc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C27H27N5O.C19H16ClN3O.C17H24BNO3.C8H4BrClN2/c1-18-7-8-20(26(33)31-23-10-11-23)16-24(18)19-9-12-25-21(15-19)17-30-27(32-25)29-14-13-28-22-5-3-2-4-6-22;1-11-2-3-13(18(24)22-15-5-6-15)9-16(11)12-4-7-17-14(8-12)10-21-19(20)23-17;1-11-6-7-12(15(20)19-13-8-9-13)10-14(11)18-21-16(2,3)17(4,5)22-18;9-6-1-2-7-5(3-6)4-11-8(10)12-7/h2-9,12,15-17,23,28H,10-11,13-14H2,1H3,(H,31,33)(H,29,30,32);2-4,7-10,15H,5-6H2,1H3,(H,22,24);6-7,10,13H,8-9H2,1-5H3,(H,19,20);1-4H
InChIKeyMZPLXLPKXUYLMU-UHFFFAOYSA-N
XLogP14.40
TPSA207.16 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001320.04
LogP ≤ 514.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide with MolForge

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Related Compounds

CID 167563484
CID 167563484
N-cyclopropyl-4-methyl-3-[2-[[(1R,2R)-2-(propan-2-ylamino)cyclohexyl]amino]quinazolin-6-yl]benzamide;methyl N-[2-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]ethyl]carbamate
CID 69467328
sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one
CID 157112317
6-bromo-2-methylquinazoline;3-(6-bromoquinazolin-2-yl)-N,N-dimethylprop-2-yn-1-amine;N-cyclopropyl-3-[2-[2-[ethyl(methyl)amino]ethynyl]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(3,3,4,4-tetramethylcyclopentyl)benzamide;N,N-dimethylprop-2-yn-1-amine
CID 157666018
4-[(6-bromoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;4-[(6-cyanoquinazolin-2-yl)amino]-N-propan-2-ylbenzamide;methane
CID 157814931
N-[3-[2-[4-[[(3S)-1-acetylpyrrolidin-3-yl]amino]anilino]quinazolin-8-yl]phenyl]prop-2-enamide;(3-aminophenyl)boronic acid;8-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-8-yl)aniline
CID 157967564
N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 158059776
N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158997701
6-bromo-N-[4-[(dimethylamino)methyl]phenyl]quinazolin-2-amine;3-chloro-2-fluoroprop-1-ene;(Z)-3-[2-[[4-[(dimethylamino)methyl]phenyl]methyl]quinazolin-6-yl]-2-fluoroprop-2-en-1-amine;2-(2-fluoroprop-2-enyl)isoindole-1,3-dione;isoindole-1,3-dione
CID 159121430
2-Amino-5-bromobenzaldehyde;5-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;1-[4-(1,10-phenanthrolin-5-yl)phenyl]ethanone;5-[4-[6-(2-pyrimidin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-pyrimidin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 160020383
6-bromo-N-[4-[(dimethylamino)methyl]phenyl]quinazolin-2-amine;(E)-3-[2-[[4-[(dimethylamino)methyl]phenyl]methyl]quinazolin-6-yl]-2-methylprop-2-en-1-amine;isoindole-1,3-dione;2-methylprop-2-en-1-amine;2-(2-methylprop-2-enyl)isoindole-1,3-dione
CID 160028099
2-Amino-5-bromobenzaldehyde;5-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;1-[4-(1,10-phenanthrolin-5-yl)phenyl]ethanone;2-pyridin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;5-[4-[6-(2-pyrimidin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 160851132

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 159717445) is 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(Cl)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCNc3ccccc3)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1.Clc1ncc2cc(Br)ccc2n1.
What is the InChIKey of 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is MZPLXLPKXUYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O.C19H16ClN3O.C17H24BNO3.C8H4BrClN2/c1-18-7-8-20(26(33)31-23-10-11-23)16-24(18)19-9-12-25-21(15-19)17-30-27(32-25)29-14-13-28-22-5-3-2-4-6-22;1-11-2-3-13(18(24)22-15-5-6-15)9-16(11)12-4-7-17-14(8-12)10-21-19(20)23-17;1-11-6-7-12(15(20)19-13-8-9-13)10-14(11)18-21-16(2,3)17(4,5)22-18;9-6-1-2-7-5(3-6)4-11-8(10)12-7/h2-9,12,15-17,23,28H,10-11,13-14H2,1H3,(H,31,33)(H,29,30,32);2-4,7-10,15H,5-6H2,1H3,(H,22,24);6-7,10,13H,8-9H2,1-5H3,(H,19,20);1-4H.
What are the key properties of 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 1320.04 g/mol, XLogP of 14.40, 14 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 159717445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).