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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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).