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

C16H25N3O3 — CID 54685930

IUPACN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H25N3O3/c1-3-19(4-2)10-9-17-15(21)13-14(20)11-7-5-6-8-12(11)18-16(13)22/h3-10H2,1-2H3,(H,17,21)(H2,18,20,22)
InChIKeyPVGHQKCMTFEVPJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.03
Rot. Bonds6

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

N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54685930) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54685930
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H25N3O3/c1-3-19(4-2)10-9-17-15(21)13-14(20)11-7-5-6-8-12(11)18-16(13)22/h3-10H2,1-2H3,(H,17,21)(H2,18,20,22)
InChIKeyPVGHQKCMTFEVPJ-UHFFFAOYSA-N
XLogP1.03
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54685930) is N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCN(CC)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is PVGHQKCMTFEVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-19(4-2)10-9-17-15(21)13-14(20)11-7-5-6-8-12(11)18-16(13)22/h3-10H2,1-2H3,(H,17,21)(H2,18,20,22).
What are the key properties of N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54685930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).