N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide

C18H15ClN2O — CID 2088463

IUPACN-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H15ClN2O/c1-12-9-16(15-7-2-3-8-17(15)21-12)18(22)20-11-13-5-4-6-14(19)10-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyYMYULYHWDTUSIS-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.13
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide

N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 2088463) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID2088463
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H15ClN2O/c1-12-9-16(15-7-2-3-8-17(15)21-12)18(22)20-11-13-5-4-6-14(19)10-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyYMYULYHWDTUSIS-UHFFFAOYSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide (CID 2088463) is N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCc2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is YMYULYHWDTUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-12-9-16(15-7-2-3-8-17(15)21-12)18(22)20-11-13-5-4-6-14(19)10-13/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide?
N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2088463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).