N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide

C19H15FN4O — CID 149098326

IUPACN-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(Nc3cccc(F)c3)c(C#N)cnc2cc1C
InChIInChI=1S/C19H15FN4O/c1-11-6-18-16(8-17(11)23-12(2)25)19(13(9-21)10-22-18)24-15-5-3-4-14(20)7-15/h3-8,10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQUASJKQDPOJCQD-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.26
Rot. Bonds3

About N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide

N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide (PubChem CID 149098326) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide
PubChem CID149098326
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC NameN-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(Nc3cccc(F)c3)c(C#N)cnc2cc1C
InChIInChI=1S/C19H15FN4O/c1-11-6-18-16(8-17(11)23-12(2)25)19(13(9-21)10-22-18)24-15-5-3-4-14(20)7-15/h3-8,10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQUASJKQDPOJCQD-UHFFFAOYSA-N
XLogP4.26
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide
CID 158177329
N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide
CID 155817353
4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile
CID 130458537
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
N-[3-cyano-4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]-7-methoxyquinolin-6-yl]-2-piperidin-4-ylideneacetamide
CID 67962595
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-methylquinolin-6-yl]benzamide
CID 158838037
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035
4-(3-chloro-4-fluoroanilino)-7-methyl-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 69259031
6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile
CID 69180760
N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide
CID 22466666
S-[2-(acetylsulfanylmethyl)-3-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]amino]-3-oxopropyl] ethanethioate
CID 135251923

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide?
The IUPAC name of N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide (CID 149098326) is N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide.
What is the SMILES notation for N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide?
The canonical SMILES for N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide is CC(=O)Nc1cc2c(Nc3cccc(F)c3)c(C#N)cnc2cc1C.
What is the InChIKey of N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide?
The InChIKey is QUASJKQDPOJCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-11-6-18-16(8-17(11)23-12(2)25)19(13(9-21)10-22-18)24-15-5-3-4-14(20)7-15/h3-8,10H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide?
N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide has a molecular weight of 334.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide is sourced from PubChem (CID 149098326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).