N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide

C36H44N4OSn — CID 174525870

IUPACN-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2nc(NC(=O)c3ccccc3)c(C#N)c(NCc3ccccc3)c2c1
InChIInChI=1S/C24H17N4O.3C4H9.Sn/c25-15-20-22(26-16-17-9-3-1-4-10-17)19-13-7-8-14-21(19)27-23(20)28-24(29)18-11-5-2-6-12-18;3*1-3-4-2;/h1-6,8-14H,16H2,(H2,26,27,28,29);3*1,3-4H2,2H3;
InChIKeyFMLKDTNOEUZXIW-UHFFFAOYSA-N
MW667.49 g/mol
LogP9.03
Rot. Bonds15

About N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide

N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide (PubChem CID 174525870) has the molecular formula C36H44N4OSn and a molecular weight of 667.49 g/mol. Its IUPAC name is N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide
PubChem CID174525870
Molecular FormulaC36H44N4OSn
Molecular Weight667.49 g/mol
Exact Mass668.25
IUPAC NameN-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2nc(NC(=O)c3ccccc3)c(C#N)c(NCc3ccccc3)c2c1
InChIInChI=1S/C24H17N4O.3C4H9.Sn/c25-15-20-22(26-16-17-9-3-1-4-10-17)19-13-7-8-14-21(19)27-23(20)28-24(29)18-11-5-2-6-12-18;3*1-3-4-2;/h1-6,8-14H,16H2,(H2,26,27,28,29);3*1,3-4H2,2H3;
InChIKeyFMLKDTNOEUZXIW-UHFFFAOYSA-N
XLogP9.03
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.49
LogP ≤ 59.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bms-833923
CID 57662985
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid benzyl-methyl-amide
CID 11485632
2-(4-Benzoyl-piperazin-1-yl)-7-methyl-quinoline-3-carbonitrile
CID 24747107
4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide
CID 3234748
N-(4-((4-(dimethylamino)quinazolin-2-yl)amino)cyclohexyl)-3,4-difluorobenzamide
CID 9934033
N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(4-cyanophenyl)acetamide
CID 11351142
2-fluoro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 15987876

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide?
The IUPAC name of N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide (CID 174525870) is N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide.
What is the SMILES notation for N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide?
The canonical SMILES for N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide is CCCC[Sn](CCCC)(CCCC)c1ccc2nc(NC(=O)c3ccccc3)c(C#N)c(NCc3ccccc3)c2c1.
What is the InChIKey of N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide?
The InChIKey is FMLKDTNOEUZXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N4O.3C4H9.Sn/c25-15-20-22(26-16-17-9-3-1-4-10-17)19-13-7-8-14-21(19)27-23(20)28-24(29)18-11-5-2-6-12-18;3*1-3-4-2;/h1-6,8-14H,16H2,(H2,26,27,28,29);3*1,3-4H2,2H3;.
What are the key properties of N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide?
N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide has a molecular weight of 667.49 g/mol, XLogP of 9.03, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-3-cyano-6-tributylstannylquinolin-2-yl]benzamide is sourced from PubChem (CID 174525870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).