N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C22H19N3O2 — CID 135690319

IUPACN-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H19N3O2/c1-25(14-20-23-19-12-5-4-11-18(19)22(27)24-20)21(26)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,23,24,27)
InChIKeyHUISJPFXDBGDSK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.28
Rot. Bonds4

About N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135690319) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135690319
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H19N3O2/c1-25(14-20-23-19-12-5-4-11-18(19)22(27)24-20)21(26)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,23,24,27)
InChIKeyHUISJPFXDBGDSK-UHFFFAOYSA-N
XLogP3.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135881182
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 135690330
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 135907474
2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135549167
N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide
CID 135808188
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
4-methyl-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135903821

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135690319) is N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is HUISJPFXDBGDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-25(14-20-23-19-12-5-4-11-18(19)22(27)24-20)21(26)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,23,24,27).
What are the key properties of N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135690319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).