2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide

C16H22N4O2 — CID 135809027

IUPAC2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H22N4O2/c1-4-9-17-14(21)10-20(3)11(2)15-18-13-8-6-5-7-12(13)16(22)19-15/h5-8,11H,4,9-10H2,1-3H3,(H,17,21)(H,18,19,22)/t11-/m0/s1
InChIKeyJOEYGMLQVIFEIN-NSHDSACASA-N
MW302.38 g/mol
LogP1.44
Rot. Bonds6

About 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide

2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide (PubChem CID 135809027) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide
PubChem CID135809027
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H22N4O2/c1-4-9-17-14(21)10-20(3)11(2)15-18-13-8-6-5-7-12(13)16(22)19-15/h5-8,11H,4,9-10H2,1-3H3,(H,17,21)(H,18,19,22)/t11-/m0/s1
InChIKeyJOEYGMLQVIFEIN-NSHDSACASA-N
XLogP1.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]acetamide
CID 135729584
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135808998
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[methyl-[(1S)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]amino]-N-propylacetamide
CID 8585377
2-[(1R)-1-[methyl-[(2-methylphenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
CID 135808748
2-[1-[(2-fluorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135899716
2-[(1R)-1-[(2-chlorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135830376
2-[(1S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135811803
2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135808076
2-[(1S)-1-[methyl(3-phenoxypropyl)amino]ethyl]-3H-quinazolin-4-one
CID 135948668

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide (CID 135809027) is 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide?
The InChIKey is JOEYGMLQVIFEIN-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-9-17-14(21)10-20(3)11(2)15-18-13-8-6-5-7-12(13)16(22)19-15/h5-8,11H,4,9-10H2,1-3H3,(H,17,21)(H,18,19,22)/t11-/m0/s1.
What are the key properties of 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide?
2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide has a molecular weight of 302.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide is sourced from PubChem (CID 135809027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).