N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide

C20H20N4O2 — CID 119059514

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(C(=O)NCc1cnc2c(c1)CCC2)n1cnc2ccccc2c1=O
InChIInChI=1S/C20H20N4O2/c1-13(24-12-23-18-7-3-2-6-16(18)20(24)26)19(25)22-11-14-9-15-5-4-8-17(15)21-10-14/h2-3,6-7,9-10,12-13H,4-5,8,11H2,1H3,(H,22,25)
InChIKeyNGIOLZLMHPPEIA-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.16
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 119059514) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
PubChem CID119059514
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(C(=O)NCc1cnc2c(c1)CCC2)n1cnc2ccccc2c1=O
InChIInChI=1S/C20H20N4O2/c1-13(24-12-23-18-7-3-2-6-16(18)20(24)26)19(25)22-11-14-9-15-5-4-8-17(15)21-10-14/h2-3,6-7,9-10,12-13H,4-5,8,11H2,1H3,(H,22,25)
InChIKeyNGIOLZLMHPPEIA-UHFFFAOYSA-N
XLogP2.16
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 126431279
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119059181
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280255
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
CID 119074367
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 122279906
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide
CID 90650920

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide (CID 119059514) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide is CC(C(=O)NCc1cnc2c(c1)CCC2)n1cnc2ccccc2c1=O.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is NGIOLZLMHPPEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(24-12-23-18-7-3-2-6-16(18)20(24)26)19(25)22-11-14-9-15-5-4-8-17(15)21-10-14/h2-3,6-7,9-10,12-13H,4-5,8,11H2,1H3,(H,22,25).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 119059514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).