6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline

C25H20ClN3O — CID 50940332

IUPAC6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline
SMILESCOc1cc(-c2ccncc2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12
InChIInChI=1S/C25H20ClN3O/c1-15-16(2)28-22-5-4-19(26)14-21(22)25(15)29-11-8-20-23(29)12-18(13-24(20)30-3)17-6-9-27-10-7-17/h4-14H,1-3H3
InChIKeyCGWIPGADOYJUDA-UHFFFAOYSA-N
MW413.91 g/mol
LogP6.52
Rot. Bonds3

About 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline

6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline (PubChem CID 50940332) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline.

Molecular Properties

Compound Name6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline
PubChem CID50940332
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC Name6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline
SMILESCOc1cc(-c2ccncc2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12
InChIInChI=1S/C25H20ClN3O/c1-15-16(2)28-22-5-4-19(26)14-21(22)25(15)29-11-8-20-23(29)12-18(13-24(20)30-3)17-6-9-27-10-7-17/h4-14H,1-3H3
InChIKeyCGWIPGADOYJUDA-UHFFFAOYSA-N
XLogP6.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline with MolForge

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Related Compounds

3-Chloro-8-methoxy-11H-indolo[3,2-c]quinoline
CID 5378164
Mls000757007
CID 330267
Ethenyl-4-phenylamino-3-quinolinecarbonitrile 10a
CID 5330490
N'-[(3-chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 10047213
16-Chloro-11-methoxy-8,20-dimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14(19),15,17-decaene iodide
CID 10299981
N-[(3-chlorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine
CID 25003431
4-(5-Methoxyindol-1-yl)-2-methylquinoline
CID 141750511
8-Chloro-1-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 2815160
3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline
CID 10600162
3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline
CID 11741367
2-Chloro-8-methoxy-5-methylindolo[3,2-c]quinoline
CID 118733617
7-(5-chloroindol-1-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 122180279

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline?
The IUPAC name of 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline (CID 50940332) is 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline.
What is the SMILES notation for 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline?
The canonical SMILES for 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline is COc1cc(-c2ccncc2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline?
The InChIKey is CGWIPGADOYJUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O/c1-15-16(2)28-22-5-4-19(26)14-21(22)25(15)29-11-8-20-23(29)12-18(13-24(20)30-3)17-6-9-27-10-7-17/h4-14H,1-3H3.
What are the key properties of 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline?
6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline has a molecular weight of 413.91 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methoxy-6-pyridin-4-ylindol-1-yl)-2,3-dimethylquinoline is sourced from PubChem (CID 50940332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).