7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide

C25H23FN4O2 — CID 123276212

IUPAC7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4C)ccc23)cc1F
InChIInChI=1S/C25H23FN4O2/c1-14-18(13-28-15(2)29-14)6-4-16-5-8-19-20(12-23(25(27)31)30-22(19)10-16)17-7-9-24(32-3)21(26)11-17/h5,7-13H,4,6H2,1-3H3,(H2,27,31)
InChIKeyOVRWXLLOJCLJMD-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.34
Rot. Bonds6

About 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide

7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide (PubChem CID 123276212) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
PubChem CID123276212
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4C)ccc23)cc1F
InChIInChI=1S/C25H23FN4O2/c1-14-18(13-28-15(2)29-14)6-4-16-5-8-19-20(12-23(25(27)31)30-22(19)10-16)17-7-9-24(32-3)21(26)11-17/h5,7-13H,4,6H2,1-3H3,(H2,27,31)
InChIKeyOVRWXLLOJCLJMD-UHFFFAOYSA-N
XLogP4.34
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
4-(4-aminophenyl)-7-methylquinoline-2-carboxamide
CID 123481673
4-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897045
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676
ethyl 3-[4-[2-(3-fluoro-4-methoxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoate
CID 70017051
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate
CID 175177068
[1-[6-bromo-4-(3-fluoro-4-methoxyphenyl)-5-methoxy-2-pyridinyl]piperidin-4-yl] carbamate
CID 175487668
2-[(2,6-dimethyl-3-pyridinyl)oxymethyl]-7-(4-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide
CID 155565564
2-fluoro-4-[3-(3-fluoro-4-methoxyphenyl)-6-(3-methoxypropyl)pyrazin-2-yl]benzoic acid
CID 138532417
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
The IUPAC name of 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide (CID 123276212) is 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4C)ccc23)cc1F.
What is the InChIKey of 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
The InChIKey is OVRWXLLOJCLJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-14-18(13-28-15(2)29-14)6-4-16-5-8-19-20(12-23(25(27)31)30-22(19)10-16)17-7-9-24(32-3)21(26)11-17/h5,7-13H,4,6H2,1-3H3,(H2,27,31).
What are the key properties of 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide?
7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 123276212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).