3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

C18H23N3O3 — CID 35246602

IUPAC3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N[C@@H](C)[C@@H]3CCCO3)cnc12
InChIInChI=1S/C18H23N3O3/c1-12-5-3-6-14-17(12)19-11-21(18(14)23)9-8-16(22)20-13(2)15-7-4-10-24-15/h3,5-6,11,13,15H,4,7-10H2,1-2H3,(H,20,22)/t13-,15-/m0/s1
InChIKeyOYOLGJSIJCLZDK-ZFWWWQNUSA-N
MW329.40 g/mol
LogP1.78
Rot. Bonds5

About 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (PubChem CID 35246602) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
PubChem CID35246602
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N[C@@H](C)[C@@H]3CCCO3)cnc12
InChIInChI=1S/C18H23N3O3/c1-12-5-3-6-14-17(12)19-11-21(18(14)23)9-8-16(22)20-13(2)15-7-4-10-24-15/h3,5-6,11,13,15H,4,7-10H2,1-2H3,(H,20,22)/t13-,15-/m0/s1
InChIKeyOYOLGJSIJCLZDK-ZFWWWQNUSA-N
XLogP1.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 35249585
N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979664
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51272559
3-[3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 94486962
N-[2-(aminomethyl)cyclohexyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119610697
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236674
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236684
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one
CID 95585347

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (CID 35246602) is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is Cc1cccc2c(=O)n(CCC(=O)N[C@@H](C)[C@@H]3CCCO3)cnc12.
What is the InChIKey of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The InChIKey is OYOLGJSIJCLZDK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-5-3-6-14-17(12)19-11-21(18(14)23)9-8-16(22)20-13(2)15-7-4-10-24-15/h3,5-6,11,13,15H,4,7-10H2,1-2H3,(H,20,22)/t13-,15-/m0/s1.
What are the key properties of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 35246602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).