N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide

C22H25N3O3 — CID 60589587

IUPACN-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCCCCOc1ncccc1CNC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C22H25N3O3/c1-4-5-11-28-22-17(7-6-10-23-22)14-24-21(26)19-12-16-8-9-18(27-3)13-20(16)25-15(19)2/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,24,26)
InChIKeyVOKQHDQXLUSMIW-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.06
Rot. Bonds8

About N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide

N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 60589587) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID60589587
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCCCCOc1ncccc1CNC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C22H25N3O3/c1-4-5-11-28-22-17(7-6-10-23-22)14-24-21(26)19-12-16-8-9-18(27-3)13-20(16)25-15(19)2/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,24,26)
InChIKeyVOKQHDQXLUSMIW-UHFFFAOYSA-N
XLogP4.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17492677
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 24550324
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
7-methoxy-2-methyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide
CID 47056292
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 47031660

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 60589587) is N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide is CCCCOc1ncccc1CNC(=O)c1cc2ccc(OC)cc2nc1C.
What is the InChIKey of N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is VOKQHDQXLUSMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-5-11-28-22-17(7-6-10-23-22)14-24-21(26)19-12-16-8-9-18(27-3)13-20(16)25-15(19)2/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,24,26).
What are the key properties of N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 60589587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).