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

C21H19ClN4 — CID 133351187

IUPAC7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine
SMILESCc1nccn1Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C21H19ClN4/c1-15-23-9-10-26(15)14-17-4-2-3-16(11-17)13-25-20-7-8-24-21-12-18(22)5-6-19(20)21/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyQGZJXVVUDCDOOO-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.05
Rot. Bonds5

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

7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine (PubChem CID 133351187) has the molecular formula C21H19ClN4 and a molecular weight of 362.86 g/mol. Its IUPAC name is 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine
PubChem CID133351187
Molecular FormulaC21H19ClN4
Molecular Weight362.86 g/mol
Exact Mass362.13
IUPAC Name7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine
SMILESCc1nccn1Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C21H19ClN4/c1-15-23-9-10-26(15)14-17-4-2-3-16(11-17)13-25-20-7-8-24-21-12-18(22)5-6-19(20)21/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyQGZJXVVUDCDOOO-UHFFFAOYSA-N
XLogP5.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine with MolForge

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Related Compounds

N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 44819633
4-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]quinoline-2-carbonitrile
CID 133351134
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
7-chloro-N-[[3-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
CID 91561178
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine
CID 133351114
7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
CID 106374323
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
CID 10433026
CID 10433026
N-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-7-chloroquinolin-4-amine
CID 68634794
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111358603
7-chloro-N-[[4-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
CID 68618100

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine (CID 133351187) is 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine is Cc1nccn1Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine?
The InChIKey is QGZJXVVUDCDOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4/c1-15-23-9-10-26(15)14-17-4-2-3-16(11-17)13-25-20-7-8-24-21-12-18(22)5-6-19(20)21/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine?
7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine has a molecular weight of 362.86 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 133351187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).