N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide

C20H21N3O2 — CID 33318425

IUPACN-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NCc3ccc(N(C)C)cc3)ccc2c1
InChIInChI=1S/C20H21N3O2/c1-23(2)16-7-4-14(5-8-16)13-21-20(24)19-10-6-15-12-17(25-3)9-11-18(15)22-19/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyKWLYQVPRCWIVNK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.24
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide (PubChem CID 33318425) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide
PubChem CID33318425
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NCc3ccc(N(C)C)cc3)ccc2c1
InChIInChI=1S/C20H21N3O2/c1-23(2)16-7-4-14(5-8-16)13-21-20(24)19-10-6-15-12-17(25-3)9-11-18(15)22-19/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyKWLYQVPRCWIVNK-UHFFFAOYSA-N
XLogP3.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
CID 82546293
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
N-ethyl-N-(2-hydroxyethyl)-6-methoxyquinoline-2-carboxamide
CID 110886561
N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide
CID 17489789
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
CID 120946976
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide (CID 33318425) is N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)NCc3ccc(N(C)C)cc3)ccc2c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide?
The InChIKey is KWLYQVPRCWIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23(2)16-7-4-14(5-8-16)13-21-20(24)19-10-6-15-12-17(25-3)9-11-18(15)22-19/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 33318425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).