2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one

C18H18ClN3O2 — CID 137264955

IUPAC2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one
SMILESCOCCC(Nc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2/c1-24-11-10-15(12-6-8-13(19)9-7-12)20-18-21-16-5-3-2-4-14(16)17(23)22-18/h2-9,15H,10-11H2,1H3,(H2,20,21,22,23)
InChIKeyPRRCOTMBPZCTMJ-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.77
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one

2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one (PubChem CID 137264955) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one
PubChem CID137264955
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one
SMILESCOCCC(Nc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2/c1-24-11-10-15(12-6-8-13(19)9-7-12)20-18-21-16-5-3-2-4-14(16)17(23)22-18/h2-9,15H,10-11H2,1H3,(H2,20,21,22,23)
InChIKeyPRRCOTMBPZCTMJ-UHFFFAOYSA-N
XLogP3.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3H-quinazolin-4-one
CID 137264134
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161
(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
CID 137098064
2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one
CID 137258168
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
CID 136747972
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one (CID 137264955) is 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one is COCCC(Nc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one?
The InChIKey is PRRCOTMBPZCTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-24-11-10-15(12-6-8-13(19)9-7-12)20-18-21-16-5-3-2-4-14(16)17(23)22-18/h2-9,15H,10-11H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one?
2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one has a molecular weight of 343.81 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137264955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).