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

C22H21N3O — CID 135808474

IUPAC2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc12
InChIInChI=1S/C22H21N3O/c1-2-25(14-17-10-7-9-16-8-3-4-11-18(16)17)15-21-23-20-13-6-5-12-19(20)22(26)24-21/h3-13H,2,14-15H2,1H3,(H,23,24,26)
InChIKeyHKEDLTJDLPPCTO-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.10
Rot. Bonds5

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

2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135808474) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135808474
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc12
InChIInChI=1S/C22H21N3O/c1-2-25(14-17-10-7-9-16-8-3-4-11-18(16)17)15-21-23-20-13-6-5-12-19(20)22(26)24-21/h3-13H,2,14-15H2,1H3,(H,23,24,26)
InChIKeyHKEDLTJDLPPCTO-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135756515
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
CID 135926229
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
2-[[(3-chloro-1-benzothiophen-2-yl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135777061
N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide
CID 135808188
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135875268

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one (CID 135808474) is 2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one is CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc12.
What is the InChIKey of 2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is HKEDLTJDLPPCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-25(14-17-10-7-9-16-8-3-4-11-18(16)17)15-21-23-20-13-6-5-12-19(20)22(26)24-21/h3-13H,2,14-15H2,1H3,(H,23,24,26).
What are the key properties of 2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135808474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).