2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one

C24H25N3O4 — CID 135809314

IUPAC2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCCc1ccc2c(CN(CCOC)Cc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1
InChIInChI=1S/C24H25N3O4/c1-3-16-8-9-18-17(13-23(28)31-21(18)12-16)14-27(10-11-30-2)15-22-25-20-7-5-4-6-19(20)24(29)26-22/h4-9,12-13H,3,10-11,14-15H2,1-2H3,(H,25,26,29)
InChIKeyHGGJMWBDKRPGND-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.24
Rot. Bonds8

About 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one

2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135809314) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135809314
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCCc1ccc2c(CN(CCOC)Cc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1
InChIInChI=1S/C24H25N3O4/c1-3-16-8-9-18-17(13-23(28)31-21(18)12-16)14-27(10-11-30-2)15-22-25-20-7-5-4-6-19(20)24(29)26-22/h4-9,12-13H,3,10-11,14-15H2,1-2H3,(H,25,26,29)
InChIKeyHGGJMWBDKRPGND-UHFFFAOYSA-N
XLogP3.24
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135750965
2-[[butyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135809150
3-[2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]ethyl]-1,3-benzoxazol-2-one
CID 135893273
2-[[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 135729543
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135722240
2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 135809400
N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 82335944
N-(butylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135750989
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135939332
N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809360

Frequently Asked Questions

What is the IUPAC name of 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one (CID 135809314) is 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one is CCc1ccc2c(CN(CCOC)Cc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1.
What is the InChIKey of 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is HGGJMWBDKRPGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-16-8-9-18-17(13-23(28)31-21(18)12-16)14-27(10-11-30-2)15-22-25-20-7-5-4-6-19(20)24(29)26-22/h4-9,12-13H,3,10-11,14-15H2,1-2H3,(H,25,26,29).
What are the key properties of 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one?
2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 419.48 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135809314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).