N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C15H24N4O — CID 66470805

IUPACN-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCn1ccnc1CNC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C15H24N4O/c1-19-9-8-16-14(19)10-17-15(20)13-7-6-11-4-2-3-5-12(11)18-13/h8-9,11-13,18H,2-7,10H2,1H3,(H,17,20)
InChIKeyASRLMIIJQQZYJP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.35
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66470805) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66470805
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCn1ccnc1CNC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C15H24N4O/c1-19-9-8-16-14(19)10-17-15(20)13-7-6-11-4-2-3-5-12(11)18-13/h8-9,11-13,18H,2-7,10H2,1H3,(H,17,20)
InChIKeyASRLMIIJQQZYJP-UHFFFAOYSA-N
XLogP1.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 63293631
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
CID 64568957
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54896049
N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471590
N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469551
N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469787
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471973
N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469799
N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304104
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66470805) is N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is Cn1ccnc1CNC(=O)C1CCC2CCCCC2N1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is ASRLMIIJQQZYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19-9-8-16-14(19)10-17-15(20)13-7-6-11-4-2-3-5-12(11)18-13/h8-9,11-13,18H,2-7,10H2,1H3,(H,17,20).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66470805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).