N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C24H26N4O2 — CID 21093009

IUPACN-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cc(C)nn2C)c2ccccc21
InChIInChI=1S/C24H26N4O2/c1-16-14-23(26(4)25-16)24(30)27-17(2)15-22(20-12-8-9-13-21(20)27)28(18(3)29)19-10-6-5-7-11-19/h5-14,17,22H,15H2,1-4H3/t17-,22+/m1/s1
InChIKeyATXNUZRTKGBLGU-VGSWGCGISA-N
MW402.50 g/mol
LogP4.26
Rot. Bonds3

About N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 21093009) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID21093009
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cc(C)nn2C)c2ccccc21
InChIInChI=1S/C24H26N4O2/c1-16-14-23(26(4)25-16)24(30)27-17(2)15-22(20-12-8-9-13-21(20)27)28(18(3)29)19-10-6-5-7-11-19/h5-14,17,22H,15H2,1-4H3/t17-,22+/m1/s1
InChIKeyATXNUZRTKGBLGU-VGSWGCGISA-N
XLogP4.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 21093009) is N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cc(C)nn2C)c2ccccc21.
What is the InChIKey of N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is ATXNUZRTKGBLGU-VGSWGCGISA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-14-23(26(4)25-16)24(30)27-17(2)15-22(20-12-8-9-13-21(20)27)28(18(3)29)19-10-6-5-7-11-19/h5-14,17,22H,15H2,1-4H3/t17-,22+/m1/s1.
What are the key properties of N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 402.50 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 21093009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).