2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one

C19H21N3O2 — CID 135808076

IUPAC2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
SMILESCOc1ccc(CN(C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O2/c1-13(22(2)12-14-8-10-15(24-3)11-9-14)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,13H,12H2,1-3H3,(H,20,21,23)/t13-/m1/s1
InChIKeyVJWPBACGWJXCST-CYBMUJFWSA-N
MW323.40 g/mol
LogP3.12
Rot. Bonds5

About 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one

2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one (PubChem CID 135808076) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
PubChem CID135808076
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
SMILESCOc1ccc(CN(C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N3O2/c1-13(22(2)12-14-8-10-15(24-3)11-9-14)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,13H,12H2,1-3H3,(H,20,21,23)/t13-/m1/s1
InChIKeyVJWPBACGWJXCST-CYBMUJFWSA-N
XLogP3.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135756556
2-[(1S)-1-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135808725
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
2-[1-[(3-fluorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 136952627
2-[(1S)-1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 135729642
2-[(1R)-1-[methyl-[(2-methylphenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
CID 135808748
2-[1-[(2-fluorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135899716
2-[(1R)-1-[(2-chlorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135830376
2-[(1S)-1-[methyl(3-phenoxypropyl)amino]ethyl]-3H-quinazolin-4-one
CID 135948668
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[(1S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135811803

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one (CID 135808076) is 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one is COc1ccc(CN(C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one?
The InChIKey is VJWPBACGWJXCST-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(22(2)12-14-8-10-15(24-3)11-9-14)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,13H,12H2,1-3H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one?
2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135808076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).