5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

C17H14ClN3 — CID 5297702

IUPAC5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3cccc(Cl)c13)N(c1ccccc1)CC2
InChIInChI=1S/C17H14ClN3/c18-13-7-4-8-14-15(13)16(19)12-9-10-21(17(12)20-14)11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,19,20)
InChIKeyDCCKMZCHOVMDSU-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.16
Rot. Bonds1

About 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (PubChem CID 5297702) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
PubChem CID5297702
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3cccc(Cl)c13)N(c1ccccc1)CC2
InChIInChI=1S/C17H14ClN3/c18-13-7-4-8-14-15(13)16(19)12-9-10-21(17(12)20-14)11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,19,20)
InChIKeyDCCKMZCHOVMDSU-UHFFFAOYSA-N
XLogP4.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The IUPAC name of 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (CID 5297702) is 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.
What is the SMILES notation for 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The canonical SMILES for 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is Nc1c2c(nc3cccc(Cl)c13)N(c1ccccc1)CC2.
What is the InChIKey of 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The InChIKey is DCCKMZCHOVMDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c18-13-7-4-8-14-15(13)16(19)12-9-10-21(17(12)20-14)11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,19,20).
What are the key properties of 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine has a molecular weight of 295.77 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 5297702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).