N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide

C14H18N4O2S — CID 59468746

IUPACN-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCC2
InChIInChI=1S/C14H18N4O2S/c1-21(19,20)17-12-5-4-11-3-2-6-18(14(11)7-12)9-13-8-15-10-16-13/h4-5,7-8,10,17H,2-3,6,9H2,1H3,(H,15,16)
InChIKeyIAZPJLNGYGLPEO-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.73
Rot. Bonds4

About N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide

N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (PubChem CID 59468746) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
PubChem CID59468746
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCC2
InChIInChI=1S/C14H18N4O2S/c1-21(19,20)17-12-5-4-11-3-2-6-18(14(11)7-12)9-13-8-15-10-16-13/h4-5,7-8,10,17H,2-3,6,9H2,1H3,(H,15,16)
InChIKeyIAZPJLNGYGLPEO-UHFFFAOYSA-N
XLogP1.73
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide
CID 59435406
1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
CID 59468844
2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide
CID 59652804
1-[(3-fluorophenyl)methyl]-3-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]urea
CID 59652815
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
methyl N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate;7-nitro-1,2,3,4-tetrahydroquinoline
CID 159733711
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
CID 24951528
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
1-(1H-imidazol-5-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 24952252
5-fluoro-1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole
CID 59468899
3,3,3-trifluoro-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]propane-1-sulfonamide
CID 59261322
N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761582

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The IUPAC name of N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (CID 59468746) is N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCC2.
What is the InChIKey of N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The InChIKey is IAZPJLNGYGLPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-21(19,20)17-12-5-4-11-3-2-6-18(14(11)7-12)9-13-8-15-10-16-13/h4-5,7-8,10,17H,2-3,6,9H2,1H3,(H,15,16).
What are the key properties of N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 59468746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).