2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one

C22H21N3O — CID 135960513

IUPAC2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
SMILESCN(CCc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc12
InChIInChI=1S/C22H21N3O/c1-25(15-17-9-6-8-16-7-2-3-10-18(16)17)14-13-21-23-20-12-5-4-11-19(20)22(26)24-21/h2-12H,13-15H2,1H3,(H,23,24,26)
InChIKeyZCJJIAHFAWZKKL-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.75
Rot. Bonds5

About 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one

2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one (PubChem CID 135960513) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
PubChem CID135960513
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
SMILESCN(CCc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc12
InChIInChI=1S/C22H21N3O/c1-25(15-17-9-6-8-16-7-2-3-10-18(16)17)14-13-21-23-20-12-5-4-11-19(20)22(26)24-21/h2-12H,13-15H2,1H3,(H,23,24,26)
InChIKeyZCJJIAHFAWZKKL-UHFFFAOYSA-N
XLogP3.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135960509
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one
CID 136921650
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
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
(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135881182

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one (CID 135960513) is 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one is CN(CCc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc12.
What is the InChIKey of 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is ZCJJIAHFAWZKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-25(15-17-9-6-8-16-7-2-3-10-18(16)17)14-13-21-23-20-12-5-4-11-19(20)22(26)24-21/h2-12H,13-15H2,1H3,(H,23,24,26).
What are the key properties of 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one?
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135960513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).