N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C17H25N3O3 — CID 54679449

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H25N3O3/c1-2-20-9-5-6-11(20)10-18-16(22)14-15(21)12-7-3-4-8-13(12)19-17(14)23/h11H,2-10H2,1H3,(H,18,22)(H2,19,21,23)
InChIKeyPYGKQVPPAUWISY-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.17
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54679449) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54679449
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H25N3O3/c1-2-20-9-5-6-11(20)10-18-16(22)14-15(21)12-7-3-4-8-13(12)19-17(14)23/h11H,2-10H2,1H3,(H,18,22)(H2,19,21,23)
InChIKeyPYGKQVPPAUWISY-UHFFFAOYSA-N
XLogP1.17
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54679449) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCN1CCCC1CNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is PYGKQVPPAUWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-20-9-5-6-11(20)10-18-16(22)14-15(21)12-7-3-4-8-13(12)19-17(14)23/h11H,2-10H2,1H3,(H,18,22)(H2,19,21,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54679449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).