7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one

C21H18ClN3O — CID 135809554

IUPAC7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
SMILESC[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C21H18ClN3O/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)23-12-20-24-19-11-15(22)9-10-18(19)21(26)25-20/h2-11,13,23H,12H2,1H3,(H,24,25,26)/t13-/m1/s1
InChIKeyXFOILXXRKPVOPA-CYBMUJFWSA-N
MW363.85 g/mol
LogP4.58
Rot. Bonds4

About 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one

7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135809554) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135809554
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
SMILESC[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C21H18ClN3O/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)23-12-20-24-19-11-15(22)9-10-18(19)21(26)25-20/h2-11,13,23H,12H2,1H3,(H,24,25,26)/t13-/m1/s1
InChIKeyXFOILXXRKPVOPA-CYBMUJFWSA-N
XLogP4.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809077
7-chloro-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136786648
7-chloro-2-[(1-ethylsulfanylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136954266
7-chloro-2-[[[(S)-(4-methylphenyl)-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809534
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]butanamide
CID 136952206
2-[[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]methyl]-7-chloro-3H-quinazolin-4-one
CID 135912359
7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one
CID 135751440
7-chloro-2-[(2-methoxypropylamino)methyl]-3H-quinazolin-4-one
CID 136820283
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 78913569
7-chloro-2-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-quinazolin-4-one
CID 137001388
7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one
CID 135526716

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one (CID 135809554) is 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one is C[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc2ccccc12.
What is the InChIKey of 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is XFOILXXRKPVOPA-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)23-12-20-24-19-11-15(22)9-10-18(19)21(26)25-20/h2-11,13,23H,12H2,1H3,(H,24,25,26)/t13-/m1/s1.
What are the key properties of 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 363.85 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135809554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).