8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide

C22H22FN3O2 — CID 131899479

IUPAC8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1NC(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C22H22FN3O2/c1-13(2)12-24-21(27)16-8-7-14(3)19(11-16)26-22(28)18-10-9-15-5-4-6-17(23)20(15)25-18/h4-11,13H,12H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyNGZCTCQZNOBXDW-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.32
Rot. Bonds5

About 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide

8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide (PubChem CID 131899479) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide
PubChem CID131899479
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1NC(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C22H22FN3O2/c1-13(2)12-24-21(27)16-8-7-14(3)19(11-16)26-22(28)18-10-9-15-5-4-6-17(23)20(15)25-18/h4-11,13H,12H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyNGZCTCQZNOBXDW-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 131951730
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide
CID 168637118
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316228
N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide
CID 171908662
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709
5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102183
5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 52804465

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide (CID 131899479) is 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide is Cc1ccc(C(=O)NCC(C)C)cc1NC(=O)c1ccc2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide?
The InChIKey is NGZCTCQZNOBXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-13(2)12-24-21(27)16-8-7-14(3)19(11-16)26-22(28)18-10-9-15-5-4-6-17(23)20(15)25-18/h4-11,13H,12H2,1-3H3,(H,24,27)(H,26,28).
What are the key properties of 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide?
8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 131899479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).