8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

C25H23N3 — CID 15749844

IUPAC8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESCc1ccccc1N1CCc2c1nc1c(C)cccc1c2Nc1ccccc1
InChIInChI=1S/C25H23N3/c1-17-9-6-7-14-22(17)28-16-15-21-24(26-19-11-4-3-5-12-19)20-13-8-10-18(2)23(20)27-25(21)28/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyPMRUHBGJDVXGPN-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.29
Rot. Bonds3

About 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (PubChem CID 15749844) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
PubChem CID15749844
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESCc1ccccc1N1CCc2c1nc1c(C)cccc1c2Nc1ccccc1
InChIInChI=1S/C25H23N3/c1-17-9-6-7-14-22(17)28-16-15-21-24(26-19-11-4-3-5-12-19)20-13-8-10-18(2)23(20)27-25(21)28/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyPMRUHBGJDVXGPN-UHFFFAOYSA-N
XLogP6.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The IUPAC name of 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (CID 15749844) is 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.
What is the SMILES notation for 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The canonical SMILES for 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is Cc1ccccc1N1CCc2c1nc1c(C)cccc1c2Nc1ccccc1.
What is the InChIKey of 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The InChIKey is PMRUHBGJDVXGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-17-9-6-7-14-22(17)28-16-15-21-24(26-19-11-4-3-5-12-19)20-13-8-10-18(2)23(20)27-25(21)28/h3-14H,15-16H2,1-2H3,(H,26,27).
What are the key properties of 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine has a molecular weight of 365.48 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(2-methylphenyl)-N-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 15749844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).