N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide

C19H22N4O — CID 94028950

IUPACN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C19H22N4O/c1-13(12-23-15(3)10-14(2)22-23)11-21-19(24)17-8-4-6-16-7-5-9-20-18(16)17/h4-10,13H,11-12H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyIVFKDVNBHXUULJ-CYBMUJFWSA-N
MW322.41 g/mol
LogP3.11
Rot. Bonds5

About N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide (PubChem CID 94028950) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
PubChem CID94028950
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C19H22N4O/c1-13(12-23-15(3)10-14(2)22-23)11-21-19(24)17-8-4-6-16-7-5-9-20-18(16)17/h4-10,13H,11-12H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyIVFKDVNBHXUULJ-CYBMUJFWSA-N
XLogP3.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide
CID 94732187
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylfuran-3-carboxamide
CID 47042468
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487
4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide
CID 94732274
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(pyrimidin-2-ylamino)urea
CID 87007937
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 95628798
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
CID 106165340

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide?
The IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide (CID 94028950) is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide?
The canonical SMILES for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide is Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccc3cccnc23)n1.
What is the InChIKey of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide?
The InChIKey is IVFKDVNBHXUULJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(12-23-15(3)10-14(2)22-23)11-21-19(24)17-8-4-6-16-7-5-9-20-18(16)17/h4-10,13H,11-12H2,1-3H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide?
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide is sourced from PubChem (CID 94028950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).