N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide

C18H22N4O — CID 25336822

IUPACN-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1nnc2n1-c1ccccc1CC2)C1CCCCC1
InChIInChI=1S/C18H22N4O/c23-18(14-7-2-1-3-8-14)19-12-17-21-20-16-11-10-13-6-4-5-9-15(13)22(16)17/h4-6,9,14H,1-3,7-8,10-12H2,(H,19,23)
InChIKeyZUESDSIUDMDNIG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.56
Rot. Bonds3

About N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide

N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide (PubChem CID 25336822) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide
PubChem CID25336822
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1nnc2n1-c1ccccc1CC2)C1CCCCC1
InChIInChI=1S/C18H22N4O/c23-18(14-7-2-1-3-8-14)19-12-17-21-20-16-11-10-13-6-4-5-9-15(13)22(16)17/h4-6,9,14H,1-3,7-8,10-12H2,(H,19,23)
InChIKeyZUESDSIUDMDNIG-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)-1-phenylmethanamine;hydrochloride
CID 163340674
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide
CID 113046028
N-benzylcyclopentanecarboxamide
CID 835634
(4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97277177
N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
CID 5028392
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
1-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 95299077
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 39761234
N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
CID 129353183
(3S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97155470

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide (CID 25336822) is N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide is O=C(NCc1nnc2n1-c1ccccc1CC2)C1CCCCC1.
What is the InChIKey of N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide?
The InChIKey is ZUESDSIUDMDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(14-7-2-1-3-8-14)19-12-17-21-20-16-11-10-13-6-4-5-9-15(13)22(16)17/h4-6,9,14H,1-3,7-8,10-12H2,(H,19,23).
What are the key properties of N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide?
N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 25336822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).