N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide

C18H17N3O — CID 157391991

IUPACN-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2cccc3cccnc23)cc1
InChIInChI=1S/C18H17N3O/c1-19-18(22)15-9-7-13(8-10-15)12-21-16-6-2-4-14-5-3-11-20-17(14)16/h2-11,21H,12H2,1H3,(H,19,22)
InChIKeyOOONQVOKYLXNHL-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.21
Rot. Bonds4

About N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide

N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide (PubChem CID 157391991) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
PubChem CID157391991
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2cccc3cccnc23)cc1
InChIInChI=1S/C18H17N3O/c1-19-18(22)15-9-7-13(8-10-15)12-21-16-6-2-4-14-5-3-11-20-17(14)16/h2-11,21H,12H2,1H3,(H,19,22)
InChIKeyOOONQVOKYLXNHL-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
4-[(benzylamino)methyl]-N'-quinolin-8-ylbenzohydrazide
CID 25073603
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
N-[(4-heptylphenyl)methyl]quinolin-8-amine
CID 71429498
4-[(2-fluoroanilino)methyl]-N-methylbenzamide
CID 54888541
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine
CID 66408480
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109347369

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide?
The IUPAC name of N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide (CID 157391991) is N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide is CNC(=O)c1ccc(CNc2cccc3cccnc23)cc1.
What is the InChIKey of N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide?
The InChIKey is OOONQVOKYLXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-19-18(22)15-9-7-13(8-10-15)12-21-16-6-2-4-14-5-3-11-20-17(14)16/h2-11,21H,12H2,1H3,(H,19,22).
What are the key properties of N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide?
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide is sourced from PubChem (CID 157391991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).