3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C21H21N5O2 — CID 56911668

IUPAC3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCC2)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C21H21N5O2/c27-20-16(12-14-4-3-7-17(14)24-20)21(28)26-10-8-25(9-11-26)19-15-5-1-2-6-18(15)22-13-23-19/h1-2,5-6,12-13H,3-4,7-11H2,(H,24,27)
InChIKeyRJNZNIJSVBEPQJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.77
Rot. Bonds2

About 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 56911668) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID56911668
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCC2)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C21H21N5O2/c27-20-16(12-14-4-3-7-17(14)24-20)21(28)26-10-8-25(9-11-26)19-15-5-1-2-6-18(15)22-13-23-19/h1-2,5-6,12-13H,3-4,7-11H2,(H,24,27)
InChIKeyRJNZNIJSVBEPQJ-UHFFFAOYSA-N
XLogP1.77
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one with MolForge

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Related Compounds

3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 51054862
3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71941109
3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71894379
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 95729823
3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 99937856
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 167804968
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126896027
2-oxo-N-quinolin-5-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 52898614
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913

Frequently Asked Questions

What is the IUPAC name of 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 56911668) is 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is RJNZNIJSVBEPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20-16(12-14-4-3-7-17(14)24-20)21(28)26-10-8-25(9-11-26)19-15-5-1-2-6-18(15)22-13-23-19/h1-2,5-6,12-13H,3-4,7-11H2,(H,24,27).
What are the key properties of 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 375.43 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-quinazolin-4-ylpiperazine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 56911668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).