8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide

C14H13FN2O — CID 126544057

IUPAC8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide
SMILESC=C(C)c1ccc2c(C(=O)NC)ccc(F)c2n1
InChIInChI=1S/C14H13FN2O/c1-8(2)12-7-5-9-10(14(18)16-3)4-6-11(15)13(9)17-12/h4-7H,1H2,2-3H3,(H,16,18)
InChIKeySQFZZBASLXIJRI-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.77
Rot. Bonds2

About 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide

8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide (PubChem CID 126544057) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide
PubChem CID126544057
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide
SMILESC=C(C)c1ccc2c(C(=O)NC)ccc(F)c2n1
InChIInChI=1S/C14H13FN2O/c1-8(2)12-7-5-9-10(14(18)16-3)4-6-11(15)13(9)17-12/h4-7H,1H2,2-3H3,(H,16,18)
InChIKeySQFZZBASLXIJRI-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 176931220
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CID 12017524
6-bromo-8-fluoro-N-methylquinoline-4-carboxamide
CID 164570300
2-fluoro-5-formyl-N-methylbenzamide
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4-fluoro-N-methyl-3-oxaldehydoyl-1H-indole-7-carboxamide
CID 142845128
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CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
CID 118449048
N-methylphenazine-1-carboxamide
CID 4257706
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide?
The IUPAC name of 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide (CID 126544057) is 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide.
What is the SMILES notation for 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide?
The canonical SMILES for 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide is C=C(C)c1ccc2c(C(=O)NC)ccc(F)c2n1.
What is the InChIKey of 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide?
The InChIKey is SQFZZBASLXIJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-8(2)12-7-5-9-10(14(18)16-3)4-6-11(15)13(9)17-12/h4-7H,1H2,2-3H3,(H,16,18).
What are the key properties of 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide?
8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide has a molecular weight of 244.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyl-2-prop-1-en-2-ylquinoline-5-carboxamide is sourced from PubChem (CID 126544057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).