2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

C22H27N3O4 — CID 136733875

IUPAC2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C22H27N3O4/c1-6-25(14(2)15-8-7-9-16(10-15)27-3)13-21-23-18-12-20(29-5)19(28-4)11-17(18)22(26)24-21/h7-12,14H,6,13H2,1-5H3,(H,23,24,26)/t14-/m1/s1
InChIKeySDXVIFUJKJZUHG-CQSZACIVSA-N
MW397.48 g/mol
LogP3.53
Rot. Bonds8

About 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 136733875) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID136733875
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C22H27N3O4/c1-6-25(14(2)15-8-7-9-16(10-15)27-3)13-21-23-18-12-20(29-5)19(28-4)11-17(18)22(26)24-21/h7-12,14H,6,13H2,1-5H3,(H,23,24,26)/t14-/m1/s1
InChIKeySDXVIFUJKJZUHG-CQSZACIVSA-N
XLogP3.53
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808562
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 136919694
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135697707
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 137156480
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium
CID 135808561
6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135722533
2-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135722483
6,7-dimethoxy-2-[[[(1R)-1-phenylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135767367
2-[[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135894270

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (CID 136733875) is 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)c1cccc(OC)c1.
What is the InChIKey of 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is SDXVIFUJKJZUHG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-6-25(14(2)15-8-7-9-16(10-15)27-3)13-21-23-18-12-20(29-5)19(28-4)11-17(18)22(26)24-21/h7-12,14H,6,13H2,1-5H3,(H,23,24,26)/t14-/m1/s1.
What are the key properties of 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 397.48 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136733875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).