2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide

C23H22N4O — CID 124882388

IUPAC2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2c(C)c1C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H22N4O/c1-15-20-7-4-5-8-21(20)25-17(3)22(15)23(28)26-16(2)18-9-11-19(12-10-18)27-14-6-13-24-27/h4-14,16H,1-3H3,(H,26,28)/t16-/m0/s1
InChIKeyUSXRQEDNOYQDQR-INIZCTEOSA-N
MW370.46 g/mol
LogP4.53
Rot. Bonds4

About 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide

2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide (PubChem CID 124882388) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide
PubChem CID124882388
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2c(C)c1C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H22N4O/c1-15-20-7-4-5-8-21(20)25-17(3)22(15)23(28)26-16(2)18-9-11-19(12-10-18)27-14-6-13-24-27/h4-14,16H,1-3H3,(H,26,28)/t16-/m0/s1
InChIKeyUSXRQEDNOYQDQR-INIZCTEOSA-N
XLogP4.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 95990127
3-hydroxy-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 59105971
3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 59106006
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
N-[(2S,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2,4-dimethylquinoline-3-carboxamide
CID 129432534
N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2,4-dimethylquinoline-3-carboxamide
CID 129432532
N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119338096
N-[1-(4-pyrazol-1-ylphenyl)ethyl]quinolin-2-amine
CID 133327159
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide
CID 18291718
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 112838345

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide (CID 124882388) is 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide is Cc1nc2ccccc2c(C)c1C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide?
The InChIKey is USXRQEDNOYQDQR-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-20-7-4-5-8-21(20)25-17(3)22(15)23(28)26-16(2)18-9-11-19(12-10-18)27-14-6-13-24-27/h4-14,16H,1-3H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide?
2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 124882388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).