4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide

C21H23FN4O2 — CID 77403967

IUPAC4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide
SMILESCOc1ccc(C(Nc2ccnc3c(C(N)=O)cccc23)C(C)(C)N)cc1F
InChIInChI=1S/C21H23FN4O2/c1-21(2,24)19(12-7-8-17(28-3)15(22)11-12)26-16-9-10-25-18-13(16)5-4-6-14(18)20(23)27/h4-11,19H,24H2,1-3H3,(H2,23,27)(H,25,26)
InChIKeyDBVJDDURUMRVSR-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.37
Rot. Bonds6

About 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide

4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide (PubChem CID 77403967) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide
PubChem CID77403967
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide
SMILESCOc1ccc(C(Nc2ccnc3c(C(N)=O)cccc23)C(C)(C)N)cc1F
InChIInChI=1S/C21H23FN4O2/c1-21(2,24)19(12-7-8-17(28-3)15(22)11-12)26-16-9-10-25-18-13(16)5-4-6-14(18)20(23)27/h4-11,19H,24H2,1-3H3,(H2,23,27)(H,25,26)
InChIKeyDBVJDDURUMRVSR-UHFFFAOYSA-N
XLogP3.37
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide with MolForge

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Related Compounds

4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide
CID 77408085
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
4-[[(1S)-2-(azetidin-1-yl)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67607088
4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide
CID 149350224
methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate
CID 175928572
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 107358477
4-[[3-(dimethylamino)-1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66764028
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylanilino)acetamide
CID 65096149
2-(3-fluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 65096535
4-[[(1R)-1-[3-[(5,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869254

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide?
The IUPAC name of 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide (CID 77403967) is 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide.
What is the SMILES notation for 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide?
The canonical SMILES for 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide is COc1ccc(C(Nc2ccnc3c(C(N)=O)cccc23)C(C)(C)N)cc1F.
What is the InChIKey of 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide?
The InChIKey is DBVJDDURUMRVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-21(2,24)19(12-7-8-17(28-3)15(22)11-12)26-16-9-10-25-18-13(16)5-4-6-14(18)20(23)27/h4-11,19H,24H2,1-3H3,(H2,23,27)(H,25,26).
What are the key properties of 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide?
4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide is sourced from PubChem (CID 77403967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).