N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide

C22H18ClN3O2 — CID 4573160

IUPACN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
SMILESCC(NC(=O)c1cccc2ccccc12)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C22H18ClN3O2/c1-13(20-25-19-12-15(23)10-11-18(19)22(28)26(20)2)24-21(27)17-9-5-7-14-6-3-4-8-16(14)17/h3-13H,1-2H3,(H,24,27)
InChIKeyNXVMIZOKRJUJKP-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.23
Rot. Bonds3

About N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 4573160) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
PubChem CID4573160
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
SMILESCC(NC(=O)c1cccc2ccccc12)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C22H18ClN3O2/c1-13(20-25-19-12-15(23)10-11-18(19)22(28)26(20)2)24-21(27)17-9-5-7-14-6-3-4-8-16(14)17/h3-13H,1-2H3,(H,24,27)
InChIKeyNXVMIZOKRJUJKP-UHFFFAOYSA-N
XLogP4.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
CID 1055784
1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 1055839
3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
CID 4661015
N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 1055781
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
CID 3895927
7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42715106
7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-1-carboxamide
CID 42720060
3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide
CID 5018182
7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 59993246

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide (CID 4573160) is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide is CC(NC(=O)c1cccc2ccccc12)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is NXVMIZOKRJUJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-13(20-25-19-12-15(23)10-11-18(19)22(28)26(20)2)24-21(27)17-9-5-7-14-6-3-4-8-16(14)17/h3-13H,1-2H3,(H,24,27).
What are the key properties of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide?
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 4573160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).