1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline

C26H25ClN6 — CID 141195639

IUPAC1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
SMILESCN1CN(c2ccc(N3CCNCC3)c(Cl)c2)c2c1cnc1ccc(-c3cccnc3)cc21
InChIInChI=1S/C26H25ClN6/c1-31-17-33(20-5-7-24(22(27)14-20)32-11-9-28-10-12-32)26-21-13-18(19-3-2-8-29-15-19)4-6-23(21)30-16-25(26)31/h2-8,13-16,28H,9-12,17H2,1H3
InChIKeyGRUHCDYYAHJZJX-UHFFFAOYSA-N
MW456.98 g/mol
LogP4.91
Rot. Bonds3

About 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline

1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline (PubChem CID 141195639) has the molecular formula C26H25ClN6 and a molecular weight of 456.98 g/mol. Its IUPAC name is 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
PubChem CID141195639
Molecular FormulaC26H25ClN6
Molecular Weight456.98 g/mol
Exact Mass456.18
IUPAC Name1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
SMILESCN1CN(c2ccc(N3CCNCC3)c(Cl)c2)c2c1cnc1ccc(-c3cccnc3)cc21
InChIInChI=1S/C26H25ClN6/c1-31-17-33(20-5-7-24(22(27)14-20)32-11-9-28-10-12-32)26-21-13-18(19-3-2-8-29-15-19)4-6-23(21)30-16-25(26)31/h2-8,13-16,28H,9-12,17H2,1H3
InChIKeyGRUHCDYYAHJZJX-UHFFFAOYSA-N
XLogP4.91
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.98
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 1242388
6-(4-Chlorophenyl)-n-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
CID 11575548
7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine
CID 70920436
N-[3-chloro-2-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 163286387
5-[({2-[(7-chloroquinolin-4-yl)amino]ethyl}amino)methyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
CID 6501965
(7-Chloro-quinolin-4-yl)-[3-(4-{3-[(quinolin-4-ylmethyl)-amino]-propyl}-piperazin-1-yl)-propyl]-amine
CID 10874800
5-chloro-4-(1H-indol-3-yl)-N-(4-(2-(4-methylpiperazin-1-yl)ethyl)phenyl)pyrimidin-2-amine
CID 44431460
2-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-4-N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 51041257
7-chloro-N-[3-[4-[3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 70689372
7-chloro-N-[3-[4-[3-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 70689376
3-benzyl-N-(7-chloro-4-quinolyl)-2,4-dihydro-1H-quinazolin-7-amine
CID 71450249
N-(7-chloro-4-quinolyl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine
CID 71450250

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline?
The IUPAC name of 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline (CID 141195639) is 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline is CN1CN(c2ccc(N3CCNCC3)c(Cl)c2)c2c1cnc1ccc(-c3cccnc3)cc21.
What is the InChIKey of 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline?
The InChIKey is GRUHCDYYAHJZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6/c1-31-17-33(20-5-7-24(22(27)14-20)32-11-9-28-10-12-32)26-21-13-18(19-3-2-8-29-15-19)4-6-23(21)30-16-25(26)31/h2-8,13-16,28H,9-12,17H2,1H3.
What are the key properties of 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline?
1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline has a molecular weight of 456.98 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-piperazin-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 141195639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).