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

C24H29N3O2 — CID 17492677

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C24H29N3O2/c1-5-27(6-2)16-20-10-8-7-9-19(20)15-25-24(28)22-13-18-11-12-21(29-4)14-23(18)26-17(22)3/h7-14H,5-6,15-16H2,1-4H3,(H,25,28)
InChIKeyNNMHXYFQUVHGQZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.32
Rot. Bonds8

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

N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 17492677) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID17492677
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C24H29N3O2/c1-5-27(6-2)16-20-10-8-7-9-19(20)15-25-24(28)22-13-18-11-12-21(29-4)14-23(18)26-17(22)3/h7-14H,5-6,15-16H2,1-4H3,(H,25,28)
InChIKeyNNMHXYFQUVHGQZ-UHFFFAOYSA-N
XLogP4.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 24550324
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
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
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
N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17488486
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
CID 120516810

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 17492677) is N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)c1cc2ccc(OC)cc2nc1C.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is NNMHXYFQUVHGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-5-27(6-2)16-20-10-8-7-9-19(20)15-25-24(28)22-13-18-11-12-21(29-4)14-23(18)26-17(22)3/h7-14H,5-6,15-16H2,1-4H3,(H,25,28).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 17492677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).