2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide

C24H23N5O — CID 161073494

IUPAC2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide
SMILESNC(=O)C1=C(N2CCNCC2)CC(c2ccnc(-c3cnc4ccccc4c3)c2)=C1
InChIInChI=1S/C24H23N5O/c25-24(30)20-12-18(14-23(20)29-9-7-26-8-10-29)16-5-6-27-22(13-16)19-11-17-3-1-2-4-21(17)28-15-19/h1-6,11-13,15,26H,7-10,14H2,(H2,25,30)
InChIKeyXCEDKKHXMRNBLX-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.73
Rot. Bonds4

About 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide

2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide (PubChem CID 161073494) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide
PubChem CID161073494
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide
SMILESNC(=O)C1=C(N2CCNCC2)CC(c2ccnc(-c3cnc4ccccc4c3)c2)=C1
InChIInChI=1S/C24H23N5O/c25-24(30)20-12-18(14-23(20)29-9-7-26-8-10-29)16-5-6-27-22(13-16)19-11-17-3-1-2-4-21(17)28-15-19/h1-6,11-13,15,26H,7-10,14H2,(H2,25,30)
InChIKeyXCEDKKHXMRNBLX-UHFFFAOYSA-N
XLogP2.73
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline
CID 170692346
3-[6-(furan-2-yl)-2-piperazin-1-ylpyrimidin-4-yl]quinoline
CID 171729518
tert-butyl 4-[3-amino-5-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate
CID 71123178
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde
CID 142918416
2-quinolin-3-ylpyridine-4-carbonitrile
CID 56718080
quinoline-3-carboxamide;hydrofluoride
CID 174911514
5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide
CID 24959355
3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline
CID 170692341
methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane
CID 174183144
2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide
CID 118961864
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide (CID 161073494) is 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide is NC(=O)C1=C(N2CCNCC2)CC(c2ccnc(-c3cnc4ccccc4c3)c2)=C1.
What is the InChIKey of 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide?
The InChIKey is XCEDKKHXMRNBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-24(30)20-12-18(14-23(20)29-9-7-26-8-10-29)16-5-6-27-22(13-16)19-11-17-3-1-2-4-21(17)28-15-19/h1-6,11-13,15,26H,7-10,14H2,(H2,25,30).
What are the key properties of 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide?
2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 161073494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).