7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine

C23H26Cl2N4 — CID 44572182

IUPAC7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
SMILESCC(C)N1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2Cl)CC1
InChIInChI=1S/C23H26Cl2N4/c1-16(2)29-11-9-28(10-12-29)15-17-13-19(4-6-21(17)25)27-22-7-8-26-23-14-18(24)3-5-20(22)23/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,26,27)
InChIKeyWEVWEYJRYRWKRU-UHFFFAOYSA-N
MW429.40 g/mol
LogP5.81
Rot. Bonds5

About 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine

7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine (PubChem CID 44572182) has the molecular formula C23H26Cl2N4 and a molecular weight of 429.40 g/mol. Its IUPAC name is 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
PubChem CID44572182
Molecular FormulaC23H26Cl2N4
Molecular Weight429.40 g/mol
Exact Mass428.15
IUPAC Name7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
SMILESCC(C)N1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2Cl)CC1
InChIInChI=1S/C23H26Cl2N4/c1-16(2)29-11-9-28(10-12-29)15-17-13-19(4-6-21(17)25)27-22-7-8-26-23-14-18(24)3-5-20(22)23/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,26,27)
InChIKeyWEVWEYJRYRWKRU-UHFFFAOYSA-N
XLogP5.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.40
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572763
4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol;hydron;dichloride
CID 91981319
7-chloro-N-[4-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 24774969
4-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-N,N-diethylpiperazine-1-carboxamide;dihydrochloride
CID 3061378
4-[(7-chloroquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;ethane;propane
CID 162520037
7-chloro-N-[4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 53250975
N-[3-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-4-fluorophenyl]-7-chloroquinolin-4-amine
CID 132525418
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
4-[(7-chloroquinolin-4-yl)amino]-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 44537303
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700
2-[1-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]piperidin-4-yl]ethyl nitrate
CID 53230848

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine (CID 44572182) is 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine is CC(C)N1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2Cl)CC1.
What is the InChIKey of 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine?
The InChIKey is WEVWEYJRYRWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4/c1-16(2)29-11-9-28(10-12-29)15-17-13-19(4-6-21(17)25)27-22-7-8-26-23-14-18(24)3-5-20(22)23/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,26,27).
What are the key properties of 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine?
7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine has a molecular weight of 429.40 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine is sourced from PubChem (CID 44572182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).