1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide

C26H30FN3O2 — CID 134537330

IUPAC1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide
SMILESCCn1c(=O)cc(C2CCN(C)CC2)c2cc(C(=O)N(C)c3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C26H30FN3O2/c1-5-30-24-9-7-19(26(32)29(4)20-8-6-17(2)23(27)15-20)14-22(24)21(16-25(30)31)18-10-12-28(3)13-11-18/h6-9,14-16,18H,5,10-13H2,1-4H3
InChIKeyKBSCOUMFWZIUOR-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.55
Rot. Bonds4

About 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide

1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide (PubChem CID 134537330) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide
PubChem CID134537330
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide
SMILESCCn1c(=O)cc(C2CCN(C)CC2)c2cc(C(=O)N(C)c3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C26H30FN3O2/c1-5-30-24-9-7-19(26(32)29(4)20-8-6-17(2)23(27)15-20)14-22(24)21(16-25(30)31)18-10-12-28(3)13-11-18/h6-9,14-16,18H,5,10-13H2,1-4H3
InChIKeyKBSCOUMFWZIUOR-UHFFFAOYSA-N
XLogP4.55
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide?
The IUPAC name of 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide (CID 134537330) is 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide is CCn1c(=O)cc(C2CCN(C)CC2)c2cc(C(=O)N(C)c3ccc(C)c(F)c3)ccc21.
What is the InChIKey of 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide?
The InChIKey is KBSCOUMFWZIUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-5-30-24-9-7-19(26(32)29(4)20-8-6-17(2)23(27)15-20)14-22(24)21(16-25(30)31)18-10-12-28(3)13-11-18/h6-9,14-16,18H,5,10-13H2,1-4H3.
What are the key properties of 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide?
1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide is sourced from PubChem (CID 134537330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).