7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one

C22H26N2O3 — CID 155926793

IUPAC7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one
SMILESCc1cc(-c2ccc3c(c2)N(C[C@@H]2CCCCO2)C(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H26N2O3/c1-15-11-18(13-23(2)22(15)26)17-7-6-16-8-9-21(25)24(20(16)12-17)14-19-5-3-4-10-27-19/h6-7,11-13,19H,3-5,8-10,14H2,1-2H3/t19-/m0/s1
InChIKeyPAIPFCICCDDSMM-IBGZPJMESA-N
MW366.46 g/mol
LogP3.21
Rot. Bonds3

About 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 155926793) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one
PubChem CID155926793
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one
SMILESCc1cc(-c2ccc3c(c2)N(C[C@@H]2CCCCO2)C(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H26N2O3/c1-15-11-18(13-23(2)22(15)26)17-7-6-16-8-9-21(25)24(20(16)12-17)14-19-5-3-4-10-27-19/h6-7,11-13,19H,3-5,8-10,14H2,1-2H3/t19-/m0/s1
InChIKeyPAIPFCICCDDSMM-IBGZPJMESA-N
XLogP3.21
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one (CID 155926793) is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one is Cc1cc(-c2ccc3c(c2)N(C[C@@H]2CCCCO2)C(=O)CC3)cn(C)c1=O.
What is the InChIKey of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is PAIPFCICCDDSMM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-11-18(13-23(2)22(15)26)17-7-6-16-8-9-21(25)24(20(16)12-17)14-19-5-3-4-10-27-19/h6-7,11-13,19H,3-5,8-10,14H2,1-2H3/t19-/m0/s1.
What are the key properties of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one?
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxan-2-yl]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155926793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).