6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one

C24H26N2O3 — CID 13120847

IUPAC6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(C2=CCN(CCC(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C24H26N2O3/c1-29-21-4-2-3-18(16-21)17-9-12-26(13-10-17)14-11-23(27)20-5-7-22-19(15-20)6-8-24(28)25-22/h2-5,7,9,15-16H,6,8,10-14H2,1H3,(H,25,28)
InChIKeySQQBGRUATITRDG-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.94
Rot. Bonds6

About 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one

6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13120847) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13120847
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(C2=CCN(CCC(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C24H26N2O3/c1-29-21-4-2-3-18(16-21)17-9-12-26(13-10-17)14-11-23(27)20-5-7-22-19(15-20)6-8-24(28)25-22/h2-5,7,9,15-16H,6,8,10-14H2,1H3,(H,25,28)
InChIKeySQQBGRUATITRDG-UHFFFAOYSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one (CID 13120847) is 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one is COc1cccc(C2=CCN(CCC(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1.
What is the InChIKey of 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SQQBGRUATITRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-29-21-4-2-3-18(16-21)17-9-12-26(13-10-17)14-11-23(27)20-5-7-22-19(15-20)6-8-24(28)25-22/h2-5,7,9,15-16H,6,8,10-14H2,1H3,(H,25,28).
What are the key properties of 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 390.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13120847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).