4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile

C23H31N5O — CID 69259832

IUPAC4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(NCCN3CCOCC3)cc2c1NC1CCCCCC1
InChIInChI=1S/C23H31N5O/c24-16-18-17-26-22-8-7-20(25-9-10-28-11-13-29-14-12-28)15-21(22)23(18)27-19-5-3-1-2-4-6-19/h7-8,15,17,19,25H,1-6,9-14H2,(H,26,27)
InChIKeyYXTGMCWRYCWPRT-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.99
Rot. Bonds6

About 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile

4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile (PubChem CID 69259832) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
PubChem CID69259832
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(NCCN3CCOCC3)cc2c1NC1CCCCCC1
InChIInChI=1S/C23H31N5O/c24-16-18-17-26-22-8-7-20(25-9-10-28-11-13-29-14-12-28)15-21(22)23(18)27-19-5-3-1-2-4-6-19/h7-8,15,17,19,25H,1-6,9-14H2,(H,26,27)
InChIKeyYXTGMCWRYCWPRT-UHFFFAOYSA-N
XLogP3.99
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile (CID 69259832) is 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccc(NCCN3CCOCC3)cc2c1NC1CCCCCC1.
What is the InChIKey of 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile?
The InChIKey is YXTGMCWRYCWPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c24-16-18-17-26-22-8-7-20(25-9-10-28-11-13-29-14-12-28)15-21(22)23(18)27-19-5-3-1-2-4-6-19/h7-8,15,17,19,25H,1-6,9-14H2,(H,26,27).
What are the key properties of 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile?
4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile has a molecular weight of 393.54 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 69259832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).