4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide

C21H21ClN4O2 — CID 2809982

IUPAC4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C21H21ClN4O2/c1-28-20-5-3-2-4-17(20)24-21(27)26-12-10-25(11-13-26)19-8-9-23-18-14-15(22)6-7-16(18)19/h2-9,14H,10-13H2,1H3,(H,24,27)
InChIKeyUGYQPOAOLNYLLX-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.25
Rot. Bonds3

About 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide

4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 2809982) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID2809982
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C21H21ClN4O2/c1-28-20-5-3-2-4-17(20)24-21(27)26-12-10-25(11-13-26)19-8-9-23-18-14-15(22)6-7-16(18)19/h2-9,14H,10-13H2,1H3,(H,24,27)
InChIKeyUGYQPOAOLNYLLX-UHFFFAOYSA-N
XLogP4.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PQ-401
CID 9549305
7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
Vuf5574
CID 4046493
6-[2-[4-(7-chloro-2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10071738
7-Chloro-4-(2-(4-(3-piperidinopropoxy)phenyl)ethylamino)quinoline
CID 10873565
7-Chloro-4-(4-(3-piperidinopropoxy)phenylamino)quinoline
CID 10916261
7-chloro-N-[[2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819805
7-chloro-N-[[3-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819806
1-(6-Chloro-4-phenyl-quinolin-3-yl)-3-(2,4-dimethoxy-phenyl)-urea
CID 10071543
4-Quinolin-4-yl-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
CID 11177747
4-(7-Chloro-quinolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
CID 11340108

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide (CID 2809982) is 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UGYQPOAOLNYLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-28-20-5-3-2-4-17(20)24-21(27)26-12-10-25(11-13-26)19-8-9-23-18-14-15(22)6-7-16(18)19/h2-9,14H,10-13H2,1H3,(H,24,27).
What are the key properties of 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide?
4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2809982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).