N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide

C22H25N3O2 — CID 24550324

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3CN(C)C)c(C)nc2c1
InChIInChI=1S/C22H25N3O2/c1-15-20(11-16-9-10-19(27-4)12-21(16)24-15)22(26)23-13-17-7-5-6-8-18(17)14-25(2)3/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyTVSZOKFWVZYEOS-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.54
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 24550324) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID24550324
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3CN(C)C)c(C)nc2c1
InChIInChI=1S/C22H25N3O2/c1-15-20(11-16-9-10-19(27-4)12-21(16)24-15)22(26)23-13-17-7-5-6-8-18(17)14-25(2)3/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyTVSZOKFWVZYEOS-UHFFFAOYSA-N
XLogP3.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17492677
N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 60589587
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 120653655
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
7-methoxy-2-methyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide
CID 47056292

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 24550324) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccccc3CN(C)C)c(C)nc2c1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is TVSZOKFWVZYEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-20(11-16-9-10-19(27-4)12-21(16)24-15)22(26)23-13-17-7-5-6-8-18(17)14-25(2)3/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 24550324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).