(4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone

C25H27ClN4O — CID 143257021

IUPAC(4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc2c(N3CCN([C@H]4CCN(C(=O)c5ccc(Cl)cc5)C4)CC3)ccnc2c1
InChIInChI=1S/C25H27ClN4O/c1-18-2-7-22-23(16-18)27-10-8-24(22)29-14-12-28(13-15-29)21-9-11-30(17-21)25(31)19-3-5-20(26)6-4-19/h2-8,10,16,21H,9,11-15,17H2,1H3/t21-/m0/s1
InChIKeyYGZIVBOHWPOZDS-NRFANRHFSA-N
MW434.97 g/mol
LogP4.23
Rot. Bonds3

About (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone

(4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone (PubChem CID 143257021) has the molecular formula C25H27ClN4O and a molecular weight of 434.97 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
PubChem CID143257021
Molecular FormulaC25H27ClN4O
Molecular Weight434.97 g/mol
Exact Mass434.19
IUPAC Name(4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc2c(N3CCN([C@H]4CCN(C(=O)c5ccc(Cl)cc5)C4)CC3)ccnc2c1
InChIInChI=1S/C25H27ClN4O/c1-18-2-7-22-23(16-18)27-10-8-24(22)29-14-12-28(13-15-29)21-9-11-30(17-21)25(31)19-3-5-20(26)6-4-19/h2-8,10,16,21H,9,11-15,17H2,1H3/t21-/m0/s1
InChIKeyYGZIVBOHWPOZDS-NRFANRHFSA-N
XLogP4.23
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[4-(6-chloroisoquinolin-1-yl)piperazin-1-yl]pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 143257075
(4-chlorophenyl)-[(3S)-3-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257056
(4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143256950
7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline
CID 133315656
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 143257076
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 80552612
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
(4-chlorophenyl)-[4-(1-pyrazin-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 143256088
2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 133458927
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
CID 24793253

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone (CID 143257021) is (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone is Cc1ccc2c(N3CCN([C@H]4CCN(C(=O)c5ccc(Cl)cc5)C4)CC3)ccnc2c1.
What is the InChIKey of (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
The InChIKey is YGZIVBOHWPOZDS-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27ClN4O/c1-18-2-7-22-23(16-18)27-10-8-24(22)29-14-12-28(13-15-29)21-9-11-30(17-21)25(31)19-3-5-20(26)6-4-19/h2-8,10,16,21H,9,11-15,17H2,1H3/t21-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone?
(4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone has a molecular weight of 434.97 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 143257021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).