N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C16H20N4O — CID 63025604

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1cccc2c1NCCC2
InChIInChI=1S/C16H20N4O/c1-19-10-9-17-14(19)11-20(2)16(21)13-7-3-5-12-6-4-8-18-15(12)13/h3,5,7,9-10,18H,4,6,8,11H2,1-2H3
InChIKeyNNTUJYIDWXJNRI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 63025604) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID63025604
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1cccc2c1NCCC2
InChIInChI=1S/C16H20N4O/c1-19-10-9-17-14(19)11-20(2)16(21)13-7-3-5-12-6-4-8-18-15(12)13/h3,5,7,9-10,18H,4,6,8,11H2,1-2H3
InChIKeyNNTUJYIDWXJNRI-UHFFFAOYSA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 63025604) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is CN(Cc1nccn1C)C(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is NNTUJYIDWXJNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-10-9-17-14(19)11-20(2)16(21)13-7-3-5-12-6-4-8-18-15(12)13/h3,5,7,9-10,18H,4,6,8,11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 63025604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).