4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

C19H22N4 — CID 148506480

IUPAC4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
SMILESNc1cc(NC2CCCCC2)c2ccc(C3=CC=NC3)cc2n1
InChIInChI=1S/C19H22N4/c20-19-11-18(22-15-4-2-1-3-5-15)16-7-6-13(10-17(16)23-19)14-8-9-21-12-14/h6-11,15H,1-5,12H2,(H3,20,22,23)
InChIKeyMLRFPZIZZXVLOA-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.03
Rot. Bonds3

About 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (PubChem CID 148506480) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
PubChem CID148506480
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
SMILESNc1cc(NC2CCCCC2)c2ccc(C3=CC=NC3)cc2n1
InChIInChI=1S/C19H22N4/c20-19-11-18(22-15-4-2-1-3-5-15)16-7-6-13(10-17(16)23-19)14-8-9-21-12-14/h6-11,15H,1-5,12H2,(H3,20,22,23)
InChIKeyMLRFPZIZZXVLOA-UHFFFAOYSA-N
XLogP4.03
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (CID 148506480) is 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is Nc1cc(NC2CCCCC2)c2ccc(C3=CC=NC3)cc2n1.
What is the InChIKey of 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?
The InChIKey is MLRFPZIZZXVLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c20-19-11-18(22-15-4-2-1-3-5-15)16-7-6-13(10-17(16)23-19)14-8-9-21-12-14/h6-11,15H,1-5,12H2,(H3,20,22,23).
What are the key properties of 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?
4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine has a molecular weight of 306.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is sourced from PubChem (CID 148506480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).