2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide

C25H24N4O — CID 19583652

IUPAC2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NC3CCCc4ccccc43)c3ccccc3n2)cn1
InChIInChI=1S/C25H24N4O/c1-2-29-16-18(15-26-29)24-14-21(20-11-5-6-12-23(20)27-24)25(30)28-22-13-7-9-17-8-3-4-10-19(17)22/h3-6,8,10-12,14-16,22H,2,7,9,13H2,1H3,(H,28,30)
InChIKeyHLUBMEIBBHJDCH-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.93
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide

2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide (PubChem CID 19583652) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
PubChem CID19583652
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NC3CCCc4ccccc43)c3ccccc3n2)cn1
InChIInChI=1S/C25H24N4O/c1-2-29-16-18(15-26-29)24-14-21(20-11-5-6-12-23(20)27-24)25(30)28-22-13-7-9-17-8-3-4-10-19(17)22/h3-6,8,10-12,14-16,22H,2,7,9,13H2,1H3,(H,28,30)
InChIKeyHLUBMEIBBHJDCH-UHFFFAOYSA-N
XLogP4.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 92773019
N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493888
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518613
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 19518645
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide
CID 129423269
(4aR,8aR)-1-[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 51392196
1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852866

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide (CID 19583652) is 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)NC3CCCc4ccccc43)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?
The InChIKey is HLUBMEIBBHJDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-2-29-16-18(15-26-29)24-14-21(20-11-5-6-12-23(20)27-24)25(30)28-22-13-7-9-17-8-3-4-10-19(17)22/h3-6,8,10-12,14-16,22H,2,7,9,13H2,1H3,(H,28,30).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19583652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).