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

C23H24N2O3 — CID 166189422

IUPAC3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H24N2O3/c26-20-8-5-16(6-9-20)17-11-13-25(14-12-17)22(27)10-7-19-15-18-3-1-2-4-21(18)24-23(19)28/h1-6,8-9,11,19,26H,7,10,12-15H2,(H,24,28)
InChIKeyMNPJCQWDWAVFMQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.60
Rot. Bonds4

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

3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 166189422) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID166189422
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H24N2O3/c26-20-8-5-16(6-9-20)17-11-13-25(14-12-17)22(27)10-7-19-15-18-3-1-2-4-21(18)24-23(19)28/h1-6,8-9,11,19,26H,7,10,12-15H2,(H,24,28)
InChIKeyMNPJCQWDWAVFMQ-UHFFFAOYSA-N
XLogP3.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 166189422) is 3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2CC1CCC(=O)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MNPJCQWDWAVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-20-8-5-16(6-9-20)17-11-13-25(14-12-17)22(27)10-7-19-15-18-3-1-2-4-21(18)24-23(19)28/h1-6,8-9,11,19,26H,7,10,12-15H2,(H,24,28).
What are the key properties of 3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 166189422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).