N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide

C22H22N4O2 — CID 86859939

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C22H22N4O2/c1-26(13-5-8-21-24-18-6-3-4-7-19(18)25-21)22(27)20-11-9-15-14-16(28-2)10-12-17(15)23-20/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,24,25)
InChIKeyOOIYMCKQRXQLKX-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.82
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide (PubChem CID 86859939) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
PubChem CID86859939
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C22H22N4O2/c1-26(13-5-8-21-24-18-6-3-4-7-19(18)25-21)22(27)20-11-9-15-14-16(28-2)10-12-17(15)23-20/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,24,25)
InChIKeyOOIYMCKQRXQLKX-UHFFFAOYSA-N
XLogP3.82
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 17470683
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 51097049
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 86859963
N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide
CID 122158480
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
CID 154785189
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide
CID 131947626
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 86859930
N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide (CID 86859939) is N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide is COc1ccc2nc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)ccc2c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide?
The InChIKey is OOIYMCKQRXQLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-26(13-5-8-21-24-18-6-3-4-7-19(18)25-21)22(27)20-11-9-15-14-16(28-2)10-12-17(15)23-20/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 86859939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).