N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide

C19H19N5O2 — CID 167856464

IUPACN-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCc1ccc2ncc(C(=O)N3CCC3CNC(=O)c3cnc[nH]3)cc2c1
InChIInChI=1S/C19H19N5O2/c1-12-2-3-16-13(6-12)7-14(8-21-16)19(26)24-5-4-15(24)9-22-18(25)17-10-20-11-23-17/h2-3,6-8,10-11,15H,4-5,9H2,1H3,(H,20,23)(H,22,25)
InChIKeyOCLJEPVYFBRHFG-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.91
Rot. Bonds4

About N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide

N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 167856464) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID167856464
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCc1ccc2ncc(C(=O)N3CCC3CNC(=O)c3cnc[nH]3)cc2c1
InChIInChI=1S/C19H19N5O2/c1-12-2-3-16-13(6-12)7-14(8-21-16)19(26)24-5-4-15(24)9-22-18(25)17-10-20-11-23-17/h2-3,6-8,10-11,15H,4-5,9H2,1H3,(H,20,23)(H,22,25)
InChIKeyOCLJEPVYFBRHFG-UHFFFAOYSA-N
XLogP1.91
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide (CID 167856464) is N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide is Cc1ccc2ncc(C(=O)N3CCC3CNC(=O)c3cnc[nH]3)cc2c1.
What is the InChIKey of N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is OCLJEPVYFBRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-2-3-16-13(6-12)7-14(8-21-16)19(26)24-5-4-15(24)9-22-18(25)17-10-20-11-23-17/h2-3,6-8,10-11,15H,4-5,9H2,1H3,(H,20,23)(H,22,25).
What are the key properties of N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167856464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).