(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone

C25H26N4O3 — CID 86941241

IUPAC(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)CC1
InChIInChI=1S/C25H26N4O3/c30-20-9-7-18(8-10-20)24(31)28-13-15-29(16-14-28)25(32)21-17-19-5-1-2-6-22(19)26-23(21)27-11-3-4-12-27/h1-2,5-10,17,30H,3-4,11-16H2
InChIKeyLXXCIBINZZJVEB-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.14
Rot. Bonds3

About (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone

(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 86941241) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone
PubChem CID86941241
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)CC1
InChIInChI=1S/C25H26N4O3/c30-20-9-7-18(8-10-20)24(31)28-13-15-29(16-14-28)25(32)21-17-19-5-1-2-6-22(19)26-23(21)27-11-3-4-12-27/h1-2,5-10,17,30H,3-4,11-16H2
InChIKeyLXXCIBINZZJVEB-UHFFFAOYSA-N
XLogP3.14
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56515869
(2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 86957741
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 167947336
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
[2-(4-fluorophenyl)morpholin-4-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56540662
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56514362
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
N-[(1S,2S)-2-methylcyclohexyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 52515339
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 140976987
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 154835068

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone (CID 86941241) is (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)CC1.
What is the InChIKey of (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LXXCIBINZZJVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-20-9-7-18(8-10-20)24(31)28-13-15-29(16-14-28)25(32)21-17-19-5-1-2-6-22(19)26-23(21)27-11-3-4-12-27/h1-2,5-10,17,30H,3-4,11-16H2.
What are the key properties of (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone?
(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 430.51 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86941241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).