1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one

C27H25ClN6O — CID 11978553

IUPAC1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCN1CCN(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cccnc6)cc5c43)c(Cl)c2)CC1
InChIInChI=1S/C27H25ClN6O/c1-31-10-12-33(13-11-31)20-6-8-24(22(28)15-20)34-26-21-14-18(19-4-3-9-29-16-19)5-7-23(21)30-17-25(26)32(2)27(34)35/h3-9,14-17H,10-13H2,1-2H3
InChIKeyZXBOIZCJONKKRR-UHFFFAOYSA-N
MW484.99 g/mol
LogP4.34
Rot. Bonds3

About 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one

1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 11978553) has the molecular formula C27H25ClN6O and a molecular weight of 484.99 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID11978553
Molecular FormulaC27H25ClN6O
Molecular Weight484.99 g/mol
Exact Mass484.18
IUPAC Name1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCN1CCN(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cccnc6)cc5c43)c(Cl)c2)CC1
InChIInChI=1S/C27H25ClN6O/c1-31-10-12-33(13-11-31)20-6-8-24(22(28)15-20)34-26-21-14-18(19-4-3-9-29-16-19)5-7-23(21)30-17-25(26)32(2)27(34)35/h3-9,14-17H,10-13H2,1-2H3
InChIKeyZXBOIZCJONKKRR-UHFFFAOYSA-N
XLogP4.34
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.99
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

Dactolisib
CID 11977753
SB 215505
CID 10449757
6-chloro-5-methyl-N-quinolin-4-yl-2,3-dihydroindole-1-carboxamide
CID 6603999
5-[[2-[(7-Chloroquinolin-4-yl)amino]ethylamino]methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 44522286
3-Methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
CID 134163712
Nvp-bbd130
CID 11751126
2-Methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile
CID 11957743
4-[2,3-Dihydro-3-methyl-2-oxo-8-(3-pyridinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-I+/-,I+/--dimethylbenzeneacetonitrile
CID 11977649
3-Methyl-8-pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 11978213
1-[4-(3-Methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile
CID 11979157
3-Methyl-1-phenyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 73977447
8-(6-Amino-3-pyridinyl)-3-methyl-1-phenylimidazo[4,5-c]quinolin-2-one
CID 127046085

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (CID 11978553) is 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is CN1CCN(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cccnc6)cc5c43)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is ZXBOIZCJONKKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O/c1-31-10-12-33(13-11-31)20-6-8-24(22(28)15-20)34-26-21-14-18(19-4-3-9-29-16-19)5-7-23(21)30-17-25(26)32(2)27(34)35/h3-9,14-17H,10-13H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 484.99 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 11978553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).