7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide

C98H92FN17O8 — CID 159033818

IUPAC7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)c(F)c1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cncnc4N)ccc23)cc1
InChIInChI=1S/C25H23FN4O2.2C25H24N4O2.C23H21N5O2/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;2*1-15(12-18-4-3-11-28-24(18)26)17-7-10-20-21(16-5-8-19(31-2)9-6-16)14-23(25(27)30)29-22(20)13-17;1-30-17-7-5-15(6-8-17)19-11-21(23(25)29)28-20-10-14(3-9-18(19)20)2-4-16-12-26-13-27-22(16)24/h3-9,11-14H,10H2,1-2H3,(H2,27,29)(H2,28,31);2*3-11,13-15H,12H2,1-2H3,(H2,26,28)(H2,27,30);3,5-13H,2,4H2,1H3,(H2,25,29)(H2,24,26,27)
InChIKeyJVFCDDJCXGAOTI-UHFFFAOYSA-N
MW1654.92 g/mol
LogP16.30
Rot. Bonds24

About 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide

7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide (PubChem CID 159033818) has the molecular formula C98H92FN17O8 and a molecular weight of 1654.92 g/mol. Its IUPAC name is 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(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;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
PubChem CID159033818
Molecular FormulaC98H92FN17O8
Molecular Weight1654.92 g/mol
Exact Mass1653.73
IUPAC Name7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)c(F)c1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cncnc4N)ccc23)cc1
InChIInChI=1S/C25H23FN4O2.2C25H24N4O2.C23H21N5O2/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;2*1-15(12-18-4-3-11-28-24(18)26)17-7-10-20-21(16-5-8-19(31-2)9-6-16)14-23(25(27)30)29-22(20)13-17;1-30-17-7-5-15(6-8-17)19-11-21(23(25)29)28-20-10-14(3-9-18(19)20)2-4-16-12-26-13-27-22(16)24/h3-9,11-14H,10H2,1-2H3,(H2,27,29)(H2,28,31);2*3-11,13-15H,12H2,1-2H3,(H2,26,28)(H2,27,30);3,5-13H,2,4H2,1H3,(H2,25,29)(H2,24,26,27)
InChIKeyJVFCDDJCXGAOTI-UHFFFAOYSA-N
XLogP16.30
TPSA429.37 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001654.92
LogP ≤ 516.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide with MolForge

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Related Compounds

(4-(2-Fluoro-4-methylphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54583296
4-(4-Methoxyphenyl)-7-(2-(2-methylpyrimidin-5-yl)ethyl)quinoline-2-carboxamide
CID 89554797
4-(3-Fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554872
4-(2-Fluoro-4-methoxyphenyl)-7-(2-(2-methylpyrimidin-5-yl)ethyl)quinoline-2-carboxamide
CID 89554892
US8653087, III-413
CID 68036201
US8653087, III-562
CID 68036210
US8653087, III-599
CID 68036429
[2-(4-Methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4606144
(5-(4-Methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-6-yl)piperazin-1-yl)methanone
CID 54584255
US8653087, III-554
CID 46181821
US8569316, III-15
CID 46873322
US8653087, III-230
CID 68035950

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;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(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;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide (CID 159033818) is 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(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;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(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;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)c(F)c1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cccnc4N)ccc23)cc1.COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cncnc4N)ccc23)cc1.
What is the InChIKey of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
The InChIKey is JVFCDDJCXGAOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2.2C25H24N4O2.C23H21N5O2/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;2*1-15(12-18-4-3-11-28-24(18)26)17-7-10-20-21(16-5-8-19(31-2)9-6-16)14-23(25(27)30)29-22(20)13-17;1-30-17-7-5-15(6-8-17)19-11-21(23(25)29)28-20-10-14(3-9-18(19)20)2-4-16-12-26-13-27-22(16)24/h3-9,11-14H,10H2,1-2H3,(H2,27,29)(H2,28,31);2*3-11,13-15H,12H2,1-2H3,(H2,26,28)(H2,27,30);3,5-13H,2,4H2,1H3,(H2,25,29)(H2,24,26,27).
What are the key properties of 7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide?
7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxamide;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide has a molecular weight of 1654.92 g/mol, XLogP of 16.30, 24 rotatable bonds, 8 hydrogen bond donors, and 21 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;bis(7-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide);7-[2-(4-aminopyrimidin-5-yl)ethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 159033818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).