2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one

C20H23N3O2 — CID 135750965

IUPAC2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCOCCN(Cc1ccc(C)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H23N3O2/c1-15-7-9-16(10-8-15)13-23(11-12-25-2)14-19-21-18-6-4-3-5-17(18)20(24)22-19/h3-10H,11-14H2,1-2H3,(H,21,22,24)
InChIKeyIKHNIWRDBKTGLL-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.88
Rot. Bonds7

About 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one

2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135750965) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135750965
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCOCCN(Cc1ccc(C)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H23N3O2/c1-15-7-9-16(10-8-15)13-23(11-12-25-2)14-19-21-18-6-4-3-5-17(18)20(24)22-19/h3-10H,11-14H2,1-2H3,(H,21,22,24)
InChIKeyIKHNIWRDBKTGLL-UHFFFAOYSA-N
XLogP2.88
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 135729543
2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one
CID 135809314
2-[[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135808168
2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 135809400
3-[2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]ethyl]-1,3-benzoxazol-2-one
CID 135893273
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809360
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135665194
2-(2-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135722281
N-(cyclopropylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809330
N-(butylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135750989

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one (CID 135750965) is 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one is COCCN(Cc1ccc(C)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is IKHNIWRDBKTGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-7-9-16(10-8-15)13-23(11-12-25-2)14-19-21-18-6-4-3-5-17(18)20(24)22-19/h3-10H,11-14H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one?
2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135750965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).