N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C24H26N4O — CID 19513013

IUPACN-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)c3ccccc3n2)cn1
InChIInChI=1S/C24H26N4O/c1-28-13-18(12-25-28)22-11-20(19-4-2-3-5-21(19)26-22)24(29)27-23-16-7-14-6-15(9-16)10-17(23)8-14/h2-5,11-17,23H,6-10H2,1H3,(H,27,29)
InChIKeyGXBMDMMWPOVHRZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.19
Rot. Bonds3

About N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19513013) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19513013
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)c3ccccc3n2)cn1
InChIInChI=1S/C24H26N4O/c1-28-13-18(12-25-28)22-11-20(19-4-2-3-5-21(19)26-22)24(29)27-23-16-7-14-6-15(9-16)10-17(23)8-14/h2-5,11-17,23H,6-10H2,1H3,(H,27,29)
InChIKeyGXBMDMMWPOVHRZ-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518613
aminothiourea;methyl 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 90741884
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518466

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19513013) is N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is Cn1cc(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)c3ccccc3n2)cn1.
What is the InChIKey of N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is GXBMDMMWPOVHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-28-13-18(12-25-28)22-11-20(19-4-2-3-5-21(19)26-22)24(29)27-23-16-7-14-6-15(9-16)10-17(23)8-14/h2-5,11-17,23H,6-10H2,1H3,(H,27,29).
What are the key properties of N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19513013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).