N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

C25H21ClN2O — CID 3619552

IUPACN-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1C
InChIInChI=1S/C25H21ClN2O/c1-16-11-12-18(13-17(16)2)24-14-21(20-8-4-6-10-23(20)28-24)25(29)27-15-19-7-3-5-9-22(19)26/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyWNDYSDBNOSFHEJ-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.10
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 3619552) has the molecular formula C25H21ClN2O and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID3619552
Molecular FormulaC25H21ClN2O
Molecular Weight400.91 g/mol
Exact Mass400.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1C
InChIInChI=1S/C25H21ClN2O/c1-16-11-12-18(13-17(16)2)24-14-21(20-8-4-6-10-23(20)28-24)25(29)27-15-19-7-3-5-9-22(19)26/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyWNDYSDBNOSFHEJ-UHFFFAOYSA-N
XLogP6.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24839733
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CID 73349008
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CID 2849628
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CID 775717
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CID 7131550
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CID 450825
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CID 6603767
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CID 10435784
CID 10435784

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (CID 3619552) is N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is WNDYSDBNOSFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O/c1-16-11-12-18(13-17(16)2)24-14-21(20-8-4-6-10-23(20)28-24)25(29)27-15-19-7-3-5-9-22(19)26/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3619552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).