N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide

C18H16N2O — CID 60622029

IUPACN-methyl-N-(4-methylphenyl)quinoline-5-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C18H16N2O/c1-13-8-10-14(11-9-13)20(2)18(21)16-5-3-7-17-15(16)6-4-12-19-17/h3-12H,1-2H3
InChIKeyBKESYWDPVLENQO-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.82
Rot. Bonds2

About N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide

N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide (PubChem CID 60622029) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)quinoline-5-carboxamide
PubChem CID60622029
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-methyl-N-(4-methylphenyl)quinoline-5-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C18H16N2O/c1-13-8-10-14(11-9-13)20(2)18(21)16-5-3-7-17-15(16)6-4-12-19-17/h3-12H,1-2H3
InChIKeyBKESYWDPVLENQO-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide (CID 60622029) is N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide is Cc1ccc(N(C)C(=O)c2cccc3ncccc23)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide?
The InChIKey is BKESYWDPVLENQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-8-10-14(11-9-13)20(2)18(21)16-5-3-7-17-15(16)6-4-12-19-17/h3-12H,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide?
N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)quinoline-5-carboxamide is sourced from PubChem (CID 60622029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).