1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one

C14H18N2O — CID 176827651

IUPAC1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCc2ccc(C(C)C)nc2C1
InChIInChI=1S/C14H18N2O/c1-4-14(17)16-8-7-11-5-6-12(10(2)3)15-13(11)9-16/h4-6,10H,1,7-9H2,2-3H3
InChIKeyPMGUMIRVICHWAZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds2

About 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one

1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one (PubChem CID 176827651) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one
PubChem CID176827651
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCc2ccc(C(C)C)nc2C1
InChIInChI=1S/C14H18N2O/c1-4-14(17)16-8-7-11-5-6-12(10(2)3)15-13(11)9-16/h4-6,10H,1,7-9H2,2-3H3
InChIKeyPMGUMIRVICHWAZ-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163544536
[(2R)-azetidin-2-yl]-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 134555294
2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
CID 172888003
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one
CID 169135165
(1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 142358596
1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one
CID 130840348
2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555329
1-[6-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 167096966
(2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide
CID 167976133
1-[7-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 172888807
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555308
1-(7-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 166129997

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one?
The IUPAC name of 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one (CID 176827651) is 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one is C=CC(=O)N1CCc2ccc(C(C)C)nc2C1.
What is the InChIKey of 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one?
The InChIKey is PMGUMIRVICHWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-14(17)16-8-7-11-5-6-12(10(2)3)15-13(11)9-16/h4-6,10H,1,7-9H2,2-3H3.
What are the key properties of 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one?
1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one is sourced from PubChem (CID 176827651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).