N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide

C18H23N3O3 — CID 110356809

IUPACN-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)NCCCCNC(=O)c1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-11-8-12(2)16-14(9-11)10-15(18(24)21-16)17(23)20-7-5-4-6-19-13(3)22/h8-10H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyMHXFEOQWEBCPMD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.79
Rot. Bonds6

About N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide

N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110356809) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110356809
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)NCCCCNC(=O)c1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-11-8-12(2)16-14(9-11)10-15(18(24)21-16)17(23)20-7-5-4-6-19-13(3)22/h8-10H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyMHXFEOQWEBCPMD-UHFFFAOYSA-N
XLogP1.79
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide (CID 110356809) is N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide is CC(=O)NCCCCNC(=O)c1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MHXFEOQWEBCPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-8-12(2)16-14(9-11)10-15(18(24)21-16)17(23)20-7-5-4-6-19-13(3)22/h8-10H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110356809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).