N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide

C25H20N4O2 — CID 10201497

IUPACN-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3c(NCc3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H20N4O2/c1-31-19-13-11-18(12-14-19)25(30)29-24-21(15-26)23(20-9-5-6-10-22(20)28-24)27-16-17-7-3-2-4-8-17/h2-14H,16H2,1H3,(H2,27,28,29,30)
InChIKeyFFHQNQNMELQOEF-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.98
Rot. Bonds6

About N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide

N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide (PubChem CID 10201497) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide
PubChem CID10201497
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3c(NCc3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H20N4O2/c1-31-19-13-11-18(12-14-19)25(30)29-24-21(15-26)23(20-9-5-6-10-22(20)28-24)27-16-17-7-3-2-4-8-17/h2-14H,16H2,1H3,(H2,27,28,29,30)
InChIKeyFFHQNQNMELQOEF-UHFFFAOYSA-N
XLogP4.98
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Vuf8504
CID 10247610
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide
CID 10760609
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 12005317
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
CID 15987793
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
4-methoxy-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide
CID 2769282
N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-3,4-dimethoxybenzamide
CID 3217019
N-(2-((3-Cyano-6-methylquinolin-2-yl)amino)ethyl)-3,4-dimethoxybenzamide
CID 3217032
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide
CID 3224090
N-((5-methyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)methyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10195069

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide (CID 10201497) is N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc3ccccc3c(NCc3ccccc3)c2C#N)cc1.
What is the InChIKey of N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide?
The InChIKey is FFHQNQNMELQOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-31-19-13-11-18(12-14-19)25(30)29-24-21(15-26)23(20-9-5-6-10-22(20)28-24)27-16-17-7-3-2-4-8-17/h2-14H,16H2,1H3,(H2,27,28,29,30).
What are the key properties of N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide?
N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide has a molecular weight of 408.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 10201497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).