3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol

C20H21ClN4O — CID 53250970

IUPAC3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol
SMILESCN1CCN(c2cc(O)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1
InChIInChI=1S/C20H21ClN4O/c1-24-6-8-25(9-7-24)16-11-15(12-17(26)13-16)23-19-4-5-22-20-10-14(21)2-3-18(19)20/h2-5,10-13,26H,6-9H2,1H3,(H,22,23)
InChIKeyCNHAEFPSSHJQPO-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.09
Rot. Bonds3

About 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol

3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol (PubChem CID 53250970) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol
PubChem CID53250970
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol
SMILESCN1CCN(c2cc(O)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1
InChIInChI=1S/C20H21ClN4O/c1-24-6-8-25(9-7-24)16-11-15(12-17(26)13-16)23-19-4-5-22-20-10-14(21)2-3-18(19)20/h2-5,10-13,26H,6-9H2,1H3,(H,22,23)
InChIKeyCNHAEFPSSHJQPO-UHFFFAOYSA-N
XLogP4.09
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine
CID 635250
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572763
4-[(7-chloroquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;ethane;propane
CID 162520037
3-[4-[4-(4-methylpiperazin-1-yl)anilino]quinolin-6-yl]phenol
CID 11611254
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
N-[[5-[(7-chloroquinolin-4-yl)amino]-2-methoxyphenyl]methyl]-4-methylpiperazine-1-carboxamide;dihydrochloride
CID 3064100
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol;hydron;dichloride
CID 91981319
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol?
The IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol (CID 53250970) is 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol.
What is the SMILES notation for 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol?
The canonical SMILES for 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol is CN1CCN(c2cc(O)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1.
What is the InChIKey of 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol?
The InChIKey is CNHAEFPSSHJQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24-6-8-25(9-7-24)16-11-15(12-17(26)13-16)23-19-4-5-22-20-10-14(21)2-3-18(19)20/h2-5,10-13,26H,6-9H2,1H3,(H,22,23).
What are the key properties of 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol?
3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol has a molecular weight of 368.87 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol is sourced from PubChem (CID 53250970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).