7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide

C25H23FN4O2 — CID 71566126

IUPAC7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)c(F)c1
InChIInChI=1S/C25H23FN4O2/c1-14(10-16-4-3-9-29-24(16)27)15-5-7-19-20(13-23(25(28)31)30-22(19)11-15)18-8-6-17(32-2)12-21(18)26/h3-9,11-14H,10H2,1-2H3,(H2,27,29)(H2,28,31)
InChIKeyHRAMGXORLGQLPY-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.47
Rot. Bonds6

About 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide

7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide (PubChem CID 71566126) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
PubChem CID71566126
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)c(F)c1
InChIInChI=1S/C25H23FN4O2/c1-14(10-16-4-3-9-29-24(16)27)15-5-7-19-20(13-23(25(28)31)30-22(19)11-15)18-8-6-17(32-2)12-21(18)26/h3-9,11-14H,10H2,1-2H3,(H2,27,29)(H2,28,31)
InChIKeyHRAMGXORLGQLPY-UHFFFAOYSA-N
XLogP4.47
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide with MolForge

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Related Compounds

Vuf8504
CID 10247610
US11866436, Example 168
CID 164915043
US11866436, Example 7
CID 164914982
2-(4-Ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3238892
Quinoline derivative 3
CID 89554768
8-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 4384722
4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide
CID 14896600
2-(5-Amino-2-(4-methoxy-2-methylphenethyl)benzo[f][1,7]naphthyridin-8-yl)-1,1-difluoro-2-oxoethylphosphonic acid
CID 49838385
5-Amino-2-(4-methoxy-2-methylphenethyl)benzo[f][1,7]naphthyridine-8-carbonylphosphonic acid
CID 49838511
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 57407347
N-[(S)-(4-methoxyphenyl)-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 71144099
7-((2,5-Dioxopyrrolidin-1-yl)methyl)-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
CID 71565669

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
The IUPAC name of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide (CID 71566126) is 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)c(F)c1.
What is the InChIKey of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
The InChIKey is HRAMGXORLGQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-14(10-16-4-3-9-29-24(16)27)15-5-7-19-20(13-23(25(28)31)30-22(19)11-15)18-8-6-17(32-2)12-21(18)26/h3-9,11-14H,10H2,1-2H3,(H2,27,29)(H2,28,31).
What are the key properties of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 71566126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).