N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide

C23H19ClN4O2 — CID 10159021

IUPACN-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESCc1nc2ccc(Cl)cc2c(=O)n1Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H19ClN4O2/c1-14-26-20-11-10-17(24)12-18(20)23(30)28(14)13-15-6-8-16(9-7-15)22(29)27-21-5-3-2-4-19(21)25/h2-12H,13,25H2,1H3,(H,27,29)
InChIKeyMOSZOVPEOFCBJI-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.24
Rot. Bonds4

About N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide

N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide (PubChem CID 10159021) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
PubChem CID10159021
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC NameN-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESCc1nc2ccc(Cl)cc2c(=O)n1Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H19ClN4O2/c1-14-26-20-11-10-17(24)12-18(20)23(30)28(14)13-15-6-8-16(9-7-15)22(29)27-21-5-3-2-4-19(21)25/h2-12H,13,25H2,1H3,(H,27,29)
InChIKeyMOSZOVPEOFCBJI-UHFFFAOYSA-N
XLogP4.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide (CID 10159021) is N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide is Cc1nc2ccc(Cl)cc2c(=O)n1Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The InChIKey is MOSZOVPEOFCBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-14-26-20-11-10-17(24)12-18(20)23(30)28(14)13-15-6-8-16(9-7-15)22(29)27-21-5-3-2-4-19(21)25/h2-12H,13,25H2,1H3,(H,27,29).
What are the key properties of N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 10159021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).