6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one

C22H22N2O2 — CID 54582604

IUPAC6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1cccc(C#Cc2ccc3c(n2)CCN(C2CCCC2)C3=O)c1
InChIInChI=1S/C22H22N2O2/c1-26-19-8-4-5-16(15-19)9-10-17-11-12-20-21(23-17)13-14-24(22(20)25)18-6-2-3-7-18/h4-5,8,11-12,15,18H,2-3,6-7,13-14H2,1H3
InChIKeyNQNAPHMOEHXZOB-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds2

About 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one

6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 54582604) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID54582604
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1cccc(C#Cc2ccc3c(n2)CCN(C2CCCC2)C3=O)c1
InChIInChI=1S/C22H22N2O2/c1-26-19-8-4-5-16(15-19)9-10-17-11-12-20-21(23-17)13-14-24(22(20)25)18-6-2-3-7-18/h4-5,8,11-12,15,18H,2-3,6-7,13-14H2,1H3
InChIKeyNQNAPHMOEHXZOB-UHFFFAOYSA-N
XLogP3.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
(3-Methoxyphenyl)-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]methanone
CID 25181656
(4-Methoxyphenyl)-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]methanone
CID 57574930
(2-Methoxyphenyl)-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]methanone
CID 57574973
2-((3-fluorophenoxy)methyl)-6-(4-fluorophenyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008456
3-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-2-methyl-5,6-dihydro-1,6-naphthyridin-5-one
CID 16026853
3-[4-(2-Fluorophenyl)piperazine-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-2-methyl-5,6-dihydro-1,6-naphthyridin-5-one
CID 16026875
6-isopropyl-2-((3-methoxyphenyl)ethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54582599
2-((3-methoxyphenyl)ethynyl)-6-methyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54585487
6-(4-Fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one
CID 90645521
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-pyridin-4-ylpyridine-3-carboxamide
CID 168276375
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(6-methylpyridine-3-carbonyl)piperazin-2-one
CID 122600835

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 54582604) is 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one is COc1cccc(C#Cc2ccc3c(n2)CCN(C2CCCC2)C3=O)c1.
What is the InChIKey of 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is NQNAPHMOEHXZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-19-8-4-5-16(15-19)9-10-17-11-12-20-21(23-17)13-14-24(22(20)25)18-6-2-3-7-18/h4-5,8,11-12,15,18H,2-3,6-7,13-14H2,1H3.
What are the key properties of 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 346.43 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 54582604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).