2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one

C18H19N3O3 — CID 137264237

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
SMILESCCOc1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-3-24-15-9-8-12(10-16(15)23-2)11-19-18-20-14-7-5-4-6-13(14)17(22)21-18/h4-10H,3,11H2,1-2H3,(H2,19,20,21,22)
InChIKeyWQBLNECDNJMSEG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.94
Rot. Bonds6

About 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one

2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one (PubChem CID 137264237) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
PubChem CID137264237
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
SMILESCCOc1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-3-24-15-9-8-12(10-16(15)23-2)11-19-18-20-14-7-5-4-6-13(14)17(22)21-18/h4-10H,3,11H2,1-2H3,(H2,19,20,21,22)
InChIKeyWQBLNECDNJMSEG-UHFFFAOYSA-N
XLogP2.94
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
1-tert-butyl-6-[(4-ethoxy-3-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261097
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135413589
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741427
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one
CID 137272351
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
1-tert-butyl-6-[(3,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264574
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55762586

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one (CID 137264237) is 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one is CCOc1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one?
The InChIKey is WQBLNECDNJMSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-24-15-9-8-12(10-16(15)23-2)11-19-18-20-14-7-5-4-6-13(14)17(22)21-18/h4-10H,3,11H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one?
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one has a molecular weight of 325.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 137264237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).