N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C19H18ClN3O3 — CID 135671605

IUPACN-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-26-16-10-9-12(11-14(16)20)21-18(24)8-4-7-17-22-15-6-3-2-5-13(15)19(25)23-17/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyPFLWQLWCNYVDSM-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.55
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135671605) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135671605
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-26-16-10-9-12(11-14(16)20)21-18(24)8-4-7-17-22-15-6-3-2-5-13(15)19(25)23-17/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyPFLWQLWCNYVDSM-UHFFFAOYSA-N
XLogP3.55
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11596426
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137
3-(3-Chloro-4-methoxyphenyl)-10-methyl-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione
CID 85090326
3-(3-Chloro-4-methoxyphenyl)-2-(cyclohexylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
CID 85090330
3-(3-Chloro-4-methoxyphenyl)-2-cyclohexyl-10-methylpyrimido[4,5-b]quinoline-4,5-dione
CID 85090331
3-(3-Chloro-4-methoxyphenyl)-2-cyclopentyl-10-methylpyrimido[4,5-b]quinoline-4,5-dione
CID 85090332
3-(4-Methoxyphenyl)-2-propylquinazolin-4-one
CID 828252
N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide
CID 877308
N-(5-chloro-2-methoxyphenyl)-3-(4-oxo-3(4H)-quinazolinyl)propanamide
CID 1085003
3-(3-Chloro-4-methoxyphenyl)-2-[(1E)-2-(naphthalen-1-YL)ethenyl]-3,4-dihydroquinazolin-4-one
CID 16034067
3-benzyl-N-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-oxoquinazoline-7-carboxamide
CID 44523913
1-Butyl-1-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 45488596

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135671605) is N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is COc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is PFLWQLWCNYVDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-26-16-10-9-12(11-14(16)20)21-18(24)8-4-7-17-22-15-6-3-2-5-13(15)19(25)23-17/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 371.82 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135671605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).