7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid

C17H19N3O3 — CID 20524649

IUPAC7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESC=CCn1c(=O)c(C(=O)O)c(N2CCCC2)c2ccc(C)nc21
InChIInChI=1S/C17H19N3O3/c1-3-8-20-15-12(7-6-11(2)18-15)14(19-9-4-5-10-19)13(16(20)21)17(22)23/h3,6-7H,1,4-5,8-10H2,2H3,(H,22,23)
InChIKeyYTLUPVVKUUEENN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.19
Rot. Bonds4

About 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid

7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 20524649) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID20524649
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESC=CCn1c(=O)c(C(=O)O)c(N2CCCC2)c2ccc(C)nc21
InChIInChI=1S/C17H19N3O3/c1-3-8-20-15-12(7-6-11(2)18-15)14(19-9-4-5-10-19)13(16(20)21)17(22)23/h3,6-7H,1,4-5,8-10H2,2H3,(H,22,23)
InChIKeyYTLUPVVKUUEENN-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-7-methyl-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524630
1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524642
1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile
CID 12818631
5-chloro-7-oxo-2-phenyl-8-prop-2-enylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 20562041
6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one
CID 30322936
2-(5-methyl-3-prop-2-enylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 81138149
2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 50833609
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 4814030
1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524636
ethyl 5-chloro-7-oxo-2-phenyl-8-prop-2-enylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12784119
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazolin-4-one
CID 769355
10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione
CID 135412907

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid (CID 20524649) is 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid is C=CCn1c(=O)c(C(=O)O)c(N2CCCC2)c2ccc(C)nc21.
What is the InChIKey of 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YTLUPVVKUUEENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-8-20-15-12(7-6-11(2)18-15)14(19-9-4-5-10-19)13(16(20)21)17(22)23/h3,6-7H,1,4-5,8-10H2,2H3,(H,22,23).
What are the key properties of 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 20524649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).