4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one

C18H16N2O — CID 151523367

IUPAC4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one
SMILESCc1cc(-c2cc3ccccc3[nH]2)c2c(n1)C(=O)CCC2
InChIInChI=1S/C18H16N2O/c1-11-9-14(13-6-4-8-17(21)18(13)19-11)16-10-12-5-2-3-7-15(12)20-16/h2-3,5,7,9-10,20H,4,6,8H2,1H3
InChIKeyPUXXTPMOPKQVCT-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.06
Rot. Bonds1

About 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one

4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one (PubChem CID 151523367) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one
PubChem CID151523367
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one
SMILESCc1cc(-c2cc3ccccc3[nH]2)c2c(n1)C(=O)CCC2
InChIInChI=1S/C18H16N2O/c1-11-9-14(13-6-4-8-17(21)18(13)19-11)16-10-12-5-2-3-7-15(12)20-16/h2-3,5,7,9-10,20H,4,6,8H2,1H3
InChIKeyPUXXTPMOPKQVCT-UHFFFAOYSA-N
XLogP4.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one?
The IUPAC name of 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one (CID 151523367) is 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one.
What is the SMILES notation for 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one?
The canonical SMILES for 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one is Cc1cc(-c2cc3ccccc3[nH]2)c2c(n1)C(=O)CCC2.
What is the InChIKey of 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one?
The InChIKey is PUXXTPMOPKQVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-11-9-14(13-6-4-8-17(21)18(13)19-11)16-10-12-5-2-3-7-15(12)20-16/h2-3,5,7,9-10,20H,4,6,8H2,1H3.
What are the key properties of 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one?
4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one has a molecular weight of 276.34 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-2-methyl-6,7-dihydro-5H-quinolin-8-one is sourced from PubChem (CID 151523367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).