7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine

C21H22ClFN4 — CID 44572763

IUPAC7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
SMILESCN1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2F)CC1
InChIInChI=1S/C21H22ClFN4/c1-26-8-10-27(11-9-26)14-15-12-17(3-5-19(15)23)25-20-6-7-24-21-13-16(22)2-4-18(20)21/h2-7,12-13H,8-11,14H2,1H3,(H,24,25)
InChIKeyPJUPXGFCULWXLZ-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.52
Rot. Bonds4

About 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine

7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine (PubChem CID 44572763) has the molecular formula C21H22ClFN4 and a molecular weight of 384.89 g/mol. Its IUPAC name is 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
PubChem CID44572763
Molecular FormulaC21H22ClFN4
Molecular Weight384.89 g/mol
Exact Mass384.15
IUPAC Name7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
SMILESCN1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2F)CC1
InChIInChI=1S/C21H22ClFN4/c1-26-8-10-27(11-9-26)14-15-12-17(3-5-19(15)23)25-20-6-7-24-21-13-16(22)2-4-18(20)21/h2-7,12-13H,8-11,14H2,1H3,(H,24,25)
InChIKeyPJUPXGFCULWXLZ-UHFFFAOYSA-N
XLogP4.52
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[4-chloro-3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572182
N-[3-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-4-fluorophenyl]-7-chloroquinolin-4-amine
CID 132525418
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-[(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
4-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-N,N-diethylpiperazine-1-carboxamide;dihydrochloride
CID 3061378
N-[[5-[(7-chloroquinolin-4-yl)amino]-2-methoxyphenyl]methyl]-4-methylpiperazine-1-carboxamide;dihydrochloride
CID 3064100
7-chloro-4-[2-(4-methylpiperazin-1-yl)ethyl]quinoline
CID 123684098
3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol
CID 53250970
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700
3-benzyl-N-(7-chloroquinolin-4-yl)-2,4-dihydro-1H-quinazolin-7-amine
CID 71450249

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine (CID 44572763) is 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine is CN1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2F)CC1.
What is the InChIKey of 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine?
The InChIKey is PJUPXGFCULWXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4/c1-26-8-10-27(11-9-26)14-15-12-17(3-5-19(15)23)25-20-6-7-24-21-13-16(22)2-4-18(20)21/h2-7,12-13H,8-11,14H2,1H3,(H,24,25).
What are the key properties of 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine?
7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine has a molecular weight of 384.89 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine is sourced from PubChem (CID 44572763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).