N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C18H23N5O — CID 126428818

IUPACN-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCCn1ncnc1[C@H](NC(=O)c1cccc2c1NCCC2)C1CC1
InChIInChI=1S/C18H23N5O/c1-2-23-17(20-11-21-23)16(13-8-9-13)22-18(24)14-7-3-5-12-6-4-10-19-15(12)14/h3,5,7,11,13,16,19H,2,4,6,8-10H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyKTUNKRZVYZEALP-MRXNPFEDSA-N
MW325.42 g/mol
LogP2.54
Rot. Bonds5

About N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 126428818) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID126428818
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCCn1ncnc1[C@H](NC(=O)c1cccc2c1NCCC2)C1CC1
InChIInChI=1S/C18H23N5O/c1-2-23-17(20-11-21-23)16(13-8-9-13)22-18(24)14-7-3-5-12-6-4-10-19-15(12)14/h3,5,7,11,13,16,19H,2,4,6,8-10H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyKTUNKRZVYZEALP-MRXNPFEDSA-N
XLogP2.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 91794119
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
CID 118793931
3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 126427323
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50952833
N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213653
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91828880
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91778065
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
CID 124753495
2-amino-N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 126454113
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91796045
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 118778831
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 125161407

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 126428818) is N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is CCn1ncnc1[C@H](NC(=O)c1cccc2c1NCCC2)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is KTUNKRZVYZEALP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-23-17(20-11-21-23)16(13-8-9-13)22-18(24)14-7-3-5-12-6-4-10-19-15(12)14/h3,5,7,11,13,16,19H,2,4,6,8-10H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 126428818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).