N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide

C15H14Cl2N4O2 — CID 135431284

IUPACN-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide
SMILESNc1nc2c(c(=O)[nH]1)CC(NC(=O)c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C15H14Cl2N4O2/c16-10-3-1-7(5-11(10)17)13(22)19-8-2-4-12-9(6-8)14(23)21-15(18)20-12/h1,3,5,8H,2,4,6H2,(H,19,22)(H3,18,20,21,23)
InChIKeyKZPCJLMTGBRBHR-UHFFFAOYSA-N
MW353.21 g/mol
LogP1.95
Rot. Bonds2

About N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide

N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide (PubChem CID 135431284) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide
PubChem CID135431284
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC NameN-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide
SMILESNc1nc2c(c(=O)[nH]1)CC(NC(=O)c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C15H14Cl2N4O2/c16-10-3-1-7(5-11(10)17)13(22)19-8-2-4-12-9(6-8)14(23)21-15(18)20-12/h1,3,5,8H,2,4,6H2,(H,19,22)(H3,18,20,21,23)
InChIKeyKZPCJLMTGBRBHR-UHFFFAOYSA-N
XLogP1.95
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide
CID 92768183
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
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CID 113256480
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
2-[6-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid
CID 70373889
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 110867709
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
CID 129113636
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide?
The IUPAC name of N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide (CID 135431284) is N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide is Nc1nc2c(c(=O)[nH]1)CC(NC(=O)c1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide?
The InChIKey is KZPCJLMTGBRBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c16-10-3-1-7(5-11(10)17)13(22)19-8-2-4-12-9(6-8)14(23)21-15(18)20-12/h1,3,5,8H,2,4,6H2,(H,19,22)(H3,18,20,21,23).
What are the key properties of N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide?
N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide has a molecular weight of 353.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide is sourced from PubChem (CID 135431284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).