3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one

C31H32N4O — CID 171565971

IUPAC3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one
SMILESCC(C)N1CCN(c2ccc(-c3ccc4[nH]c(=O)c(-c5cn(C)c6ccccc56)cc4c3)cc2)CC1
InChIInChI=1S/C31H32N4O/c1-21(2)34-14-16-35(17-15-34)25-11-8-22(9-12-25)23-10-13-29-24(18-23)19-27(31(36)32-29)28-20-33(3)30-7-5-4-6-26(28)30/h4-13,18-21H,14-17H2,1-3H3,(H,32,36)
InChIKeyLDAUNNNZEWSKKL-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.88
Rot. Bonds4

About 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one

3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one (PubChem CID 171565971) has the molecular formula C31H32N4O and a molecular weight of 476.62 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one
PubChem CID171565971
Molecular FormulaC31H32N4O
Molecular Weight476.62 g/mol
Exact Mass476.26
IUPAC Name3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one
SMILESCC(C)N1CCN(c2ccc(-c3ccc4[nH]c(=O)c(-c5cn(C)c6ccccc56)cc4c3)cc2)CC1
InChIInChI=1S/C31H32N4O/c1-21(2)34-14-16-35(17-15-34)25-11-8-22(9-12-25)23-10-13-29-24(18-23)19-27(31(36)32-29)28-20-33(3)30-7-5-4-6-26(28)30/h4-13,18-21H,14-17H2,1-3H3,(H,32,36)
InChIKeyLDAUNNNZEWSKKL-UHFFFAOYSA-N
XLogP5.88
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-(2,4,5-trifluorophenyl)-1H-quinolin-2-one
CID 171566060
6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 171566011
N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
CID 140543119
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
5-(4-propan-2-ylpiperazin-1-yl)-1H-indole
CID 22015411
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 171118314
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one
CID 166094502
3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327659
6-(1-methylindol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 146673831
1,4-dimethyl-2-(3-methylsulfonylphenyl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrrolo[3,2-c]pyridine
CID 162736348

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one?
The IUPAC name of 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one (CID 171565971) is 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one is CC(C)N1CCN(c2ccc(-c3ccc4[nH]c(=O)c(-c5cn(C)c6ccccc56)cc4c3)cc2)CC1.
What is the InChIKey of 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one?
The InChIKey is LDAUNNNZEWSKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O/c1-21(2)34-14-16-35(17-15-34)25-11-8-22(9-12-25)23-10-13-29-24(18-23)19-27(31(36)32-29)28-20-33(3)30-7-5-4-6-26(28)30/h4-13,18-21H,14-17H2,1-3H3,(H,32,36).
What are the key properties of 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one?
3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one has a molecular weight of 476.62 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 171565971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).