N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide

C18H17N3O3 — CID 121497375

IUPACN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NCc2cc(C3CC3)on2)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-21-15-5-3-2-4-13(15)14(9-17(21)22)18(23)19-10-12-8-16(24-20-12)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,23)
InChIKeyWGQVNZQMIHQLIG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.33
Rot. Bonds4

About N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 121497375) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID121497375
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NCc2cc(C3CC3)on2)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-21-15-5-3-2-4-13(15)14(9-17(21)22)18(23)19-10-12-8-16(24-20-12)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,23)
InChIKeyWGQVNZQMIHQLIG-UHFFFAOYSA-N
XLogP2.33
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide with MolForge

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Related Compounds

1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
CID 122558905
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide
CID 146125810
5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71779472
1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide
CID 55758321
1-methyl-2-oxo-N-[(1-phenylcyclopentyl)methyl]quinoline-4-carboxamide
CID 55759441
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756401
N-(5-methyl-1,2-oxazol-3-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55758260
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid
CID 163341206

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 121497375) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)NCc2cc(C3CC3)on2)c2ccccc21.
What is the InChIKey of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is WGQVNZQMIHQLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-15-5-3-2-4-13(15)14(9-17(21)22)18(23)19-10-12-8-16(24-20-12)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,23).
What are the key properties of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 121497375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).