7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one

C21H18ClN3O — CID 135811769

IUPAC7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1ccc2ccccc2c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C21H18ClN3O/c1-25(12-14-6-7-15-4-2-3-5-16(15)10-14)13-20-23-19-11-17(22)8-9-18(19)21(26)24-20/h2-11H,12-13H2,1H3,(H,23,24,26)
InChIKeyMRRNGYHVBRQDHT-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.36
Rot. Bonds4

About 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one

7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135811769) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135811769
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1ccc2ccccc2c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C21H18ClN3O/c1-25(12-14-6-7-15-4-2-3-5-16(15)10-14)13-20-23-19-11-17(22)8-9-18(19)21(26)24-20/h2-11H,12-13H2,1H3,(H,23,24,26)
InChIKeyMRRNGYHVBRQDHT-UHFFFAOYSA-N
XLogP4.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135724878
7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135722541
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-naphthalen-2-yl-N-propylacetamide
CID 135962407
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 135579915
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135722533
7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135952239
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
7-chloro-2-(isoquinolin-2-ium-2-ylmethyl)-3H-quinazolin-4-one chloride
CID 135982994
6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135925758
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 135888041

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one (CID 135811769) is 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one is CN(Cc1ccc2ccccc2c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is MRRNGYHVBRQDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-25(12-14-6-7-15-4-2-3-5-16(15)10-14)13-20-23-19-11-17(22)8-9-18(19)21(26)24-20/h2-11H,12-13H2,1H3,(H,23,24,26).
What are the key properties of 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 363.85 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135811769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).