N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide

C92H74F3N15O6S — CID 159403297

IUPACN-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)C1CC1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc(C(F)(F)F)c1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccs1
InChIInChI=1S/C20H14F3N3O.C20H17N3O2.C19H15N3O.C17H13N3OS.C16H15N3O/c21-20(22,23)15-6-3-5-13(10-15)18(27)26-19-24-11-14-9-8-12-4-1-2-7-16(12)17(14)25-19;1-25-16-10-8-14(9-11-16)19(24)23-20-21-12-15-7-6-13-4-2-3-5-17(13)18(15)22-20;23-18(14-7-2-1-3-8-14)22-19-20-12-15-11-10-13-6-4-5-9-16(13)17(15)21-19;21-16(14-6-3-9-22-14)20-17-18-10-12-8-7-11-4-1-2-5-13(11)15(12)19-17;20-15(11-6-7-11)19-16-17-9-12-8-5-10-3-1-2-4-13(10)14(12)18-16/h1-7,10-11H,8-9H2,(H,24,25,26,27);2-5,8-12H,6-7H2,1H3,(H,21,22,23,24);1-9,12H,10-11H2,(H,20,21,22,23);1-6,9-10H,7-8H2,(H,18,19,20,21);1-4,9,11H,5-8H2,(H,17,18,19,20)
InChIKeyLNQAIFKJDXAOKN-UHFFFAOYSA-N
MW1574.76 g/mol
LogP17.66
Rot. Bonds11

About N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide

N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 159403297) has the molecular formula C92H74F3N15O6S and a molecular weight of 1574.76 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID159403297
Molecular FormulaC92H74F3N15O6S
Molecular Weight1574.76 g/mol
Exact Mass1573.56
IUPAC NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)C1CC1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc(C(F)(F)F)c1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccs1
InChIInChI=1S/C20H14F3N3O.C20H17N3O2.C19H15N3O.C17H13N3OS.C16H15N3O/c21-20(22,23)15-6-3-5-13(10-15)18(27)26-19-24-11-14-9-8-12-4-1-2-7-16(12)17(14)25-19;1-25-16-10-8-14(9-11-16)19(24)23-20-21-12-15-7-6-13-4-2-3-5-17(13)18(15)22-20;23-18(14-7-2-1-3-8-14)22-19-20-12-15-11-10-13-6-4-5-9-16(13)17(15)21-19;21-16(14-6-3-9-22-14)20-17-18-10-12-8-7-11-4-1-2-5-13(11)15(12)19-17;20-15(11-6-7-11)19-16-17-9-12-8-5-10-3-1-2-4-13(10)14(12)18-16/h1-7,10-11H,8-9H2,(H,24,25,26,27);2-5,8-12H,6-7H2,1H3,(H,21,22,23,24);1-9,12H,10-11H2,(H,20,21,22,23);1-6,9-10H,7-8H2,(H,18,19,20,21);1-4,9,11H,5-8H2,(H,17,18,19,20)
InChIKeyLNQAIFKJDXAOKN-UHFFFAOYSA-N
XLogP17.66
TPSA283.63 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001574.76
LogP ≤ 517.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[4-[2-[4-(dimethylamino)butylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]-3-fluoro-4-methoxybenzamide;N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]thiophene-2-carboxamide
CID 158464543
3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-benzyl-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 158879598

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide (CID 159403297) is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)C1CC1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc(C(F)(F)F)c1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1.O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccs1.
What is the InChIKey of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is LNQAIFKJDXAOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O.C20H17N3O2.C19H15N3O.C17H13N3OS.C16H15N3O/c21-20(22,23)15-6-3-5-13(10-15)18(27)26-19-24-11-14-9-8-12-4-1-2-7-16(12)17(14)25-19;1-25-16-10-8-14(9-11-16)19(24)23-20-21-12-15-7-6-13-4-2-3-5-17(13)18(15)22-20;23-18(14-7-2-1-3-8-14)22-19-20-12-15-11-10-13-6-4-5-9-16(13)17(15)21-19;21-16(14-6-3-9-22-14)20-17-18-10-12-8-7-11-4-1-2-5-13(11)15(12)19-17;20-15(11-6-7-11)19-16-17-9-12-8-5-10-3-1-2-4-13(10)14(12)18-16/h1-7,10-11H,8-9H2,(H,24,25,26,27);2-5,8-12H,6-7H2,1H3,(H,21,22,23,24);1-9,12H,10-11H2,(H,20,21,22,23);1-6,9-10H,7-8H2,(H,18,19,20,21);1-4,9,11H,5-8H2,(H,17,18,19,20).
What are the key properties of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide?
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 1574.76 g/mol, XLogP of 17.66, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide;N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159403297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).