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

C22H23N3O — CID 15749832

IUPAC3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol
SMILESCc1ccccc1-n1ccc2c(NCCCO)nc3c(C)cccc3c21
InChIInChI=1S/C22H23N3O/c1-15-7-3-4-10-19(15)25-13-11-18-21(25)17-9-5-8-16(2)20(17)24-22(18)23-12-6-14-26/h3-5,7-11,13,26H,6,12,14H2,1-2H3,(H,23,24)
InChIKeyRXOMMEBNQDHZNR-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.59
Rot. Bonds5

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

3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol (PubChem CID 15749832) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol
PubChem CID15749832
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol
SMILESCc1ccccc1-n1ccc2c(NCCCO)nc3c(C)cccc3c21
InChIInChI=1S/C22H23N3O/c1-15-7-3-4-10-19(15)25-13-11-18-21(25)17-9-5-8-16(2)20(17)24-22(18)23-12-6-14-26/h3-5,7-11,13,26H,6,12,14H2,1-2H3,(H,23,24)
InChIKeyRXOMMEBNQDHZNR-UHFFFAOYSA-N
XLogP4.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pazelliptine
CID 68853
1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-dimethyl-
CID 3056049
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
N'-(11H-indolo(3,2-c)quinolin-6-yl)-N,N-dimethylethane-1,2-diamine
CID 24204050
(1-Benzyl-1H-indol-5-yl)-quinazolin-4-yl-amine
CID 44279279
7-(Naphthalen-1-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 21783605
7-(o-Tolylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531725
2-Propanol, 1-(diethylamino)-3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)-, trimaleate
CID 158473
1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-diethyl-
CID 3056048
1,2-Propanediol, 3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)-
CID 3068865
1,3-Propanediamine, N-(3-aminopropyl)-N-ethyl-N'-(6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-, dihydrate
CID 3068866

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol (CID 15749832) is 3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol is Cc1ccccc1-n1ccc2c(NCCCO)nc3c(C)cccc3c21.
What is the InChIKey of 3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol?
The InChIKey is RXOMMEBNQDHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-7-3-4-10-19(15)25-13-11-18-21(25)17-9-5-8-16(2)20(17)24-22(18)23-12-6-14-26/h3-5,7-11,13,26H,6,12,14H2,1-2H3,(H,23,24).
What are the key properties of 3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol?
3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol has a molecular weight of 345.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 15749832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).