2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine

C23H27N3O2 — CID 67486191

IUPAC2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
SMILESCOc1ccc(-c2cccc3c2NC2=C(CN(C4CCC4)C2)C3N)c(OC)c1
InChIInChI=1S/C23H27N3O2/c1-27-15-9-10-16(21(11-15)28-2)17-7-4-8-18-22(24)19-12-26(14-5-3-6-14)13-20(19)25-23(17)18/h4,7-11,14,22,25H,3,5-6,12-13,24H2,1-2H3
InChIKeyPRJTWAXQDLYKNR-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.92
Rot. Bonds4

About 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine

2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine (PubChem CID 67486191) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine.

Molecular Properties

Compound Name2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
PubChem CID67486191
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
SMILESCOc1ccc(-c2cccc3c2NC2=C(CN(C4CCC4)C2)C3N)c(OC)c1
InChIInChI=1S/C23H27N3O2/c1-27-15-9-10-16(21(11-15)28-2)17-7-4-8-18-22(24)19-12-26(14-5-3-6-14)13-20(19)25-23(17)18/h4,7-11,14,22,25H,3,5-6,12-13,24H2,1-2H3
InChIKeyPRJTWAXQDLYKNR-UHFFFAOYSA-N
XLogP3.92
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyl-3,9-dimethoxy-5,7-dihydrobenzo[d][2]benzazepine;ethane
CID 164597946
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
1-cyclopentyl-3-(2,4-dimethoxyphenyl)pyrazol-4-amine
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8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
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3-(2,4-dimethoxyphenyl)-2-methylbenzoate
CID 86307310
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
4-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 115390407
(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434
6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
CID 53217944
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
The IUPAC name of 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine (CID 67486191) is 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine.
What is the SMILES notation for 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
The canonical SMILES for 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine is COc1ccc(-c2cccc3c2NC2=C(CN(C4CCC4)C2)C3N)c(OC)c1.
What is the InChIKey of 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
The InChIKey is PRJTWAXQDLYKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-27-15-9-10-16(21(11-15)28-2)17-7-4-8-18-22(24)19-12-26(14-5-3-6-14)13-20(19)25-23(17)18/h4,7-11,14,22,25H,3,5-6,12-13,24H2,1-2H3.
What are the key properties of 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine has a molecular weight of 377.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine is sourced from PubChem (CID 67486191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).