1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

C17H13Cl2N3 — CID 5146621

IUPAC1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3ccccc13)N(c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C17H13Cl2N3/c18-13-6-5-10(9-14(13)19)22-8-7-12-16(20)11-3-1-2-4-15(11)21-17(12)22/h1-6,9H,7-8H2,(H2,20,21)
InChIKeySOMPZWPMMFOZCE-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.82
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (PubChem CID 5146621) has the molecular formula C17H13Cl2N3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
PubChem CID5146621
Molecular FormulaC17H13Cl2N3
Molecular Weight330.22 g/mol
Exact Mass329.05
IUPAC Name1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3ccccc13)N(c1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C17H13Cl2N3/c18-13-6-5-10(9-14(13)19)22-8-7-12-16(20)11-3-1-2-4-15(11)21-17(12)22/h1-6,9H,7-8H2,(H2,20,21)
InChIKeySOMPZWPMMFOZCE-UHFFFAOYSA-N
XLogP4.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (CID 5146621) is 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is Nc1c2c(nc3ccccc13)N(c1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The InChIKey is SOMPZWPMMFOZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3/c18-13-6-5-10(9-14(13)19)22-8-7-12-16(20)11-3-1-2-4-15(11)21-17(12)22/h1-6,9H,7-8H2,(H2,20,21).
What are the key properties of 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine has a molecular weight of 330.22 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 5146621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).