N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide

C19H16N6O2 — CID 155817353

IUPACN-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2c(C#N)cnc3ccc(NC(N)=O)cc23)c1
InChIInChI=1S/C19H16N6O2/c1-11(26)23-13-3-2-4-14(7-13)24-18-12(9-20)10-22-17-6-5-15(8-16(17)18)25-19(21)27/h2-8,10H,1H3,(H,22,24)(H,23,26)(H3,21,25,27)
InChIKeyONPVEWFKTYKJBO-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.30
Rot. Bonds4

About N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide

N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide (PubChem CID 155817353) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide
PubChem CID155817353
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2c(C#N)cnc3ccc(NC(N)=O)cc23)c1
InChIInChI=1S/C19H16N6O2/c1-11(26)23-13-3-2-4-14(7-13)24-18-12(9-20)10-22-17-6-5-15(8-16(17)18)25-19(21)27/h2-8,10H,1H3,(H,22,24)(H,23,26)(H3,21,25,27)
InChIKeyONPVEWFKTYKJBO-UHFFFAOYSA-N
XLogP3.30
TPSA132.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide
CID 22466666
N-[3-cyano-4-[3-(dimethylamino)anilino]quinolin-6-yl]prop-2-enamide
CID 22466730
N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-3-chloroprop-2-enamide;prop-2-enamide
CID 173209901
N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide
CID 90766636
N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide
CID 149098326
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
N-[8-(2-aminopropan-2-yl)-4-(3-bromoanilino)-3-cyanoquinolin-6-yl]acetamide
CID 70147654
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
N-[4-(3-bromo-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 54147240
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
N-[3-cyano-4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinolin-6-yl]prop-2-enamide
CID 69052789

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide (CID 155817353) is N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2c(C#N)cnc3ccc(NC(N)=O)cc23)c1.
What is the InChIKey of N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide?
The InChIKey is ONPVEWFKTYKJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-11(26)23-13-3-2-4-14(7-13)24-18-12(9-20)10-22-17-6-5-15(8-16(17)18)25-19(21)27/h2-8,10H,1H3,(H,22,24)(H,23,26)(H3,21,25,27).
What are the key properties of N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 155817353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).