7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one

C22H18FN3O2 — CID 167956310

IUPAC7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one
SMILESCOc1ccc(-c2ccncc2)cc1NCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C22H18FN3O2/c1-28-21-5-3-15(14-6-8-24-9-7-14)11-20(21)25-13-17-10-16-2-4-18(23)12-19(16)26-22(17)27/h2-12,25H,13H2,1H3,(H,26,27)
InChIKeyPJGYKPZENYWUCS-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.35
Rot. Bonds5

About 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one

7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one (PubChem CID 167956310) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one
PubChem CID167956310
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one
SMILESCOc1ccc(-c2ccncc2)cc1NCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C22H18FN3O2/c1-28-21-5-3-15(14-6-8-24-9-7-14)11-20(21)25-13-17-10-16-2-4-18(23)12-19(16)26-22(17)27/h2-12,25H,13H2,1H3,(H,26,27)
InChIKeyPJGYKPZENYWUCS-UHFFFAOYSA-N
XLogP4.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 25319089
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421
N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110412926
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 166392137
4-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56907270
7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
CID 167866692
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide
CID 118953951
N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 791677
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
CID 115881304
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 75527524

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one (CID 167956310) is 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one is COc1ccc(-c2ccncc2)cc1NCc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one?
The InChIKey is PJGYKPZENYWUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-28-21-5-3-15(14-6-8-24-9-7-14)11-20(21)25-13-17-10-16-2-4-18(23)12-19(16)26-22(17)27/h2-12,25H,13H2,1H3,(H,26,27).
What are the key properties of 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one?
7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one has a molecular weight of 375.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 167956310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).