N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide

C15H11ClN4O — CID 173142660

IUPACN-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide
SMILESNc1nc(-c2cc(Cl)ccc2NC=O)c2ccccc2n1
InChIInChI=1S/C15H11ClN4O/c16-9-5-6-12(18-8-21)11(7-9)14-10-3-1-2-4-13(10)19-15(17)20-14/h1-8H,(H,18,21)(H2,17,19,20)
InChIKeyBMVTUJCWYLZMIY-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.10
Rot. Bonds3

About N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide

N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide (PubChem CID 173142660) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide.

Molecular Properties

Compound NameN-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide
PubChem CID173142660
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC NameN-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide
SMILESNc1nc(-c2cc(Cl)ccc2NC=O)c2ccccc2n1
InChIInChI=1S/C15H11ClN4O/c16-9-5-6-12(18-8-21)11(7-9)14-10-3-1-2-4-13(10)19-15(17)20-14/h1-8H,(H,18,21)(H2,17,19,20)
InChIKeyBMVTUJCWYLZMIY-UHFFFAOYSA-N
XLogP3.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoquinolin-4-yl)formamide
CID 87318709
N-[4-chloro-2-(2-chloro-3-pyridinyl)phenyl]formamide
CID 151611576
4-[2-(chloromethyl)phenyl]quinazolin-2-amine
CID 174529917
N-(4-chloroquinolin-3-yl)formamide
CID 86227468
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
4-[2-(2-methylanilino)phenyl]quinazolin-2-amine
CID 70396785
3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 71268346
N-acridin-1-ylformamide
CID 174650417
N-(4-aminoquinolin-3-yl)formamide
CID 23043031
N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide
CID 6522385
2-[6-(2-amino-6-chloroquinazolin-4-yl)-2,3-dichlorophenoxy]acetic acid
CID 67197313
2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine
CID 70660140

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide?
The IUPAC name of N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide (CID 173142660) is N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide.
What is the SMILES notation for N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide?
The canonical SMILES for N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide is Nc1nc(-c2cc(Cl)ccc2NC=O)c2ccccc2n1.
What is the InChIKey of N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide?
The InChIKey is BMVTUJCWYLZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-9-5-6-12(18-8-21)11(7-9)14-10-3-1-2-4-13(10)19-15(17)20-14/h1-8H,(H,18,21)(H2,17,19,20).
What are the key properties of N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide?
N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide has a molecular weight of 298.73 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoquinazolin-4-yl)-4-chlorophenyl]formamide is sourced from PubChem (CID 173142660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).