N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide

C26H19N3O2 — CID 7577795

IUPACN-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C26H19N3O2/c1-17-27-24-15-5-4-13-23(24)26(31)29(17)20-11-7-10-19(16-20)28-25(30)22-14-6-9-18-8-2-3-12-21(18)22/h2-16H,1H3,(H,28,30)
InChIKeyVSSFZBWEWUATCI-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.10
Rot. Bonds3

About N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide

N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 7577795) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
PubChem CID7577795
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC NameN-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C26H19N3O2/c1-17-27-24-15-5-4-13-23(24)26(31)29(17)20-11-7-10-19(16-20)28-25(30)22-14-6-9-18-8-2-3-12-21(18)22/h2-16H,1H3,(H,28,30)
InChIKeyVSSFZBWEWUATCI-UHFFFAOYSA-N
XLogP5.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-nitrobenzamide
CID 7294862
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 16830173
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16812884
2-methyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606966
2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192
2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 18576712
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide (CID 7577795) is N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide is Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is VSSFZBWEWUATCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c1-17-27-24-15-5-4-13-23(24)26(31)29(17)20-11-7-10-19(16-20)28-25(30)22-14-6-9-18-8-2-3-12-21(18)22/h2-16H,1H3,(H,28,30).
What are the key properties of N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide?
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 7577795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).