4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol

C23H25N3O — CID 15749833

IUPAC4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol
SMILESCc1ccccc1-n1ccc2c(NCCCCO)nc3c(C)cccc3c21
InChIInChI=1S/C23H25N3O/c1-16-8-3-4-11-20(16)26-14-12-19-22(26)18-10-7-9-17(2)21(18)25-23(19)24-13-5-6-15-27/h3-4,7-12,14,27H,5-6,13,15H2,1-2H3,(H,24,25)
InChIKeyAXWUACXMDJLJHM-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.98
Rot. Bonds6

About 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol

4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol (PubChem CID 15749833) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol
PubChem CID15749833
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol
SMILESCc1ccccc1-n1ccc2c(NCCCCO)nc3c(C)cccc3c21
InChIInChI=1S/C23H25N3O/c1-16-8-3-4-11-20(16)26-14-12-19-22(26)18-10-7-9-17(2)21(18)25-23(19)24-13-5-6-15-27/h3-4,7-12,14,27H,5-6,13,15H2,1-2H3,(H,24,25)
InChIKeyAXWUACXMDJLJHM-UHFFFAOYSA-N
XLogP4.98
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
Ethanol, 2,2'-((3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)propyl)imino)di-, hydrate (2:1)
CID 3068867
1-(2-Methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo(3,2-c)quinoline
CID 3081211
(2R)-2-{[9-(propan-2-yl)-6-{[4-(pyridin-2-yl)phenyl]amino}-9H-purin-2-yl]amino}butan-1-ol
CID 25053130
(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol
CID 25211051
(1-Benzyl-1H-indol-5-yl)-quinazolin-4-yl-amine
CID 44279279
2-(4-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)-3-methylphenyl)ethanol
CID 44416018
2-Propanol, 1-(diethylamino)-3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)-, trimaleate
CID 158473
1,2-Propanediol, 3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)-
CID 3068865
4-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)butan-1-ol
CID 10872508
2-({4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl}amino)-2-methylpropan-1-ol
CID 11381333
N4-(9-ethyl-9H-carbazol-3-yl)-N2-(3-morpholin-4-ylpropyl)-pyrimidine-2,4-diamine
CID 51031035

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol?
The IUPAC name of 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol (CID 15749833) is 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol is Cc1ccccc1-n1ccc2c(NCCCCO)nc3c(C)cccc3c21.
What is the InChIKey of 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol?
The InChIKey is AXWUACXMDJLJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-8-3-4-11-20(16)26-14-12-19-22(26)18-10-7-9-17(2)21(18)25-23(19)24-13-5-6-15-27/h3-4,7-12,14,27H,5-6,13,15H2,1-2H3,(H,24,25).
What are the key properties of 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol?
4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol has a molecular weight of 359.47 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 15749833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).