3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

C21H21N3O2 — CID 43811695

IUPAC3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H21N3O2/c1-3-23-13-18(19(25)17-9-8-14(2)22-20(17)23)21(26)24-11-10-15-6-4-5-7-16(15)12-24/h4-9,13H,3,10-12H2,1-2H3
InChIKeyMKHZUECLZJUMDD-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.92
Rot. Bonds2

About 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (PubChem CID 43811695) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
PubChem CID43811695
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H21N3O2/c1-3-23-13-18(19(25)17-9-8-14(2)22-20(17)23)21(26)24-11-10-15-6-4-5-7-16(15)12-24/h4-9,13H,3,10-12H2,1-2H3
InChIKeyMKHZUECLZJUMDD-UHFFFAOYSA-N
XLogP2.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 5309135
3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90537434
1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 42650197
1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 110219417
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
CID 53087029
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one
CID 30131761
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90495193
1-ethyl-7-methyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660892
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid
CID 154915333
1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 654366
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (CID 43811695) is 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is MKHZUECLZJUMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-23-13-18(19(25)17-9-8-14(2)22-20(17)23)21(26)24-11-10-15-6-4-5-7-16(15)12-24/h4-9,13H,3,10-12H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 347.42 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 43811695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).