8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline

C21H30N2O — CID 143875870

IUPAC8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCCCC(CCC)CCN1CCc2cnc3ccc(OC)cc3c21
InChIInChI=1S/C21H30N2O/c1-4-6-16(7-5-2)10-12-23-13-11-17-15-22-20-9-8-18(24-3)14-19(20)21(17)23/h8-9,14-16H,4-7,10-13H2,1-3H3
InChIKeyBQCSNMSWTCAYSE-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.21
Rot. Bonds8

About 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline

8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline (PubChem CID 143875870) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline
PubChem CID143875870
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCCCC(CCC)CCN1CCc2cnc3ccc(OC)cc3c21
InChIInChI=1S/C21H30N2O/c1-4-6-16(7-5-2)10-12-23-13-11-17-15-22-20-9-8-18(24-3)14-19(20)21(17)23/h8-9,14-16H,4-7,10-13H2,1-3H3
InChIKeyBQCSNMSWTCAYSE-UHFFFAOYSA-N
XLogP5.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine
CID 70960929
(3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane
CID 143875933
3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline
CID 90348340
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid
CID 7137791
4-[2-cyclohexylethyl(ethyl)amino]-1-(9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-1-yl)-2-methylbutan-1-one
CID 70960849
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine
CID 68900992
ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
CID 133397813
9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline
CID 143875698
2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one
CID 166771395
(3S,5R)-4-amino-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidine-3,5-diol
CID 58604205
[1-(3-cyano-6-methoxyquinolin-4-yl)piperidin-4-yl]methyl dihydrogen phosphite
CID 154672957

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline?
The IUPAC name of 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline (CID 143875870) is 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline.
What is the SMILES notation for 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline?
The canonical SMILES for 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline is CCCC(CCC)CCN1CCc2cnc3ccc(OC)cc3c21.
What is the InChIKey of 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline?
The InChIKey is BQCSNMSWTCAYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-4-6-16(7-5-2)10-12-23-13-11-17-15-22-20-9-8-18(24-3)14-19(20)21(17)23/h8-9,14-16H,4-7,10-13H2,1-3H3.
What are the key properties of 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline?
8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline has a molecular weight of 326.48 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline is sourced from PubChem (CID 143875870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).