N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide

C19H15BrN4O — CID 22466666

IUPACN-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C19H15BrN4O/c1-2-18(25)23-15-6-7-17-16(9-15)19(12(10-21)11-22-17)24-14-5-3-4-13(20)8-14/h3-9,11H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyQAIWBHUZZZOVEO-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.96
Rot. Bonds4

About N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide

N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide (PubChem CID 22466666) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide
PubChem CID22466666
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC NameN-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C19H15BrN4O/c1-2-18(25)23-15-6-7-17-16(9-15)19(12(10-21)11-22-17)24-14-5-3-4-13(20)8-14/h3-9,11H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyQAIWBHUZZZOVEO-UHFFFAOYSA-N
XLogP4.96
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-3-chloroprop-2-enamide;prop-2-enamide
CID 173209901
ethyl 2-[[4-[[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]amino]-4-oxobut-2-enyl]-methylamino]acetate
CID 54365575
N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide
CID 155817353
N-[3-cyano-4-[3-(dimethylamino)anilino]quinolin-6-yl]prop-2-enamide
CID 22466730
N-[8-(2-aminopropan-2-yl)-4-(3-bromoanilino)-3-cyanoquinolin-6-yl]acetamide
CID 70147654
N-[4-(3-bromoanilino)-3-cyano-7-methoxyquinolin-6-yl]-4-(diethylamino)but-2-enamide
CID 54274159
N-[4-(3-bromo-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 54147240
(E)-N-[4-(3-bromoanilino)-3-cyano-8-methoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 11102890
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(3-bromoanilino)-6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,7-naphthyridine-3-carbonitrile
CID 18548984
(E)-N-[4-(3-bromoanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide
CID 11649536
ethyl 2-[[4-[[4-(3-bromoanilino)-3-cyano-7-methoxyquinolin-6-yl]amino]-4-oxobut-2-ynyl]-methylamino]acetate
CID 22270171

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide?
The IUPAC name of N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide (CID 22466666) is N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide.
What is the SMILES notation for N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide?
The canonical SMILES for N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide is CCC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide?
The InChIKey is QAIWBHUZZZOVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-2-18(25)23-15-6-7-17-16(9-15)19(12(10-21)11-22-17)24-14-5-3-4-13(20)8-14/h3-9,11H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide?
N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide has a molecular weight of 395.26 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]propanamide is sourced from PubChem (CID 22466666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).