2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile

C31H24N4O — CID 67308741

IUPAC2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)c1NCCCO
InChIInChI=1S/C31H24N4O/c32-19-22-9-5-15-29(31(22)33-16-7-17-36)35-27-13-4-2-10-25(27)30-24(11-6-14-28(30)35)23-18-21-8-1-3-12-26(21)34-20-23/h1-6,8-15,18,20,33,36H,7,16-17H2
InChIKeyNPLSKWORCFUTMF-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.66
Rot. Bonds6

About 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile

2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile (PubChem CID 67308741) has the molecular formula C31H24N4O and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
PubChem CID67308741
Molecular FormulaC31H24N4O
Molecular Weight468.56 g/mol
Exact Mass468.20
IUPAC Name2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)c1NCCCO
InChIInChI=1S/C31H24N4O/c32-19-22-9-5-15-29(31(22)33-16-7-17-36)35-27-13-4-2-10-25(27)30-24(11-6-14-28(30)35)23-18-21-8-1-3-12-26(21)34-20-23/h1-6,8-15,18,20,33,36H,7,16-17H2
InChIKeyNPLSKWORCFUTMF-UHFFFAOYSA-N
XLogP6.66
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
CID 67308148
5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carbaldehyde
CID 143871523
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
4-phenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032257
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
6-fluoro-6-(4-quinolin-3-ylcarbazol-9-yl)cyclohexa-2,4-diene-1-carbonitrile
CID 154432794
2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296418
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
3-(3-ethyl-4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzonitrile
CID 131734927
4-(3-methyl-4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)-2-(pentylamino)benzonitrile
CID 67502567

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile (CID 67308741) is 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile is N#Cc1cccc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)c1NCCCO.
What is the InChIKey of 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile?
The InChIKey is NPLSKWORCFUTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O/c32-19-22-9-5-15-29(31(22)33-16-7-17-36)35-27-13-4-2-10-25(27)30-24(11-6-14-28(30)35)23-18-21-8-1-3-12-26(21)34-20-23/h1-6,8-15,18,20,33,36H,7,16-17H2.
What are the key properties of 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile?
2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile has a molecular weight of 468.56 g/mol, XLogP of 6.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 67308741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).