N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide

C23H21ClN4O2 — CID 124582230

IUPACN-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
SMILESC[C@H](COc1ccc(Cl)cc1)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc12
InChIInChI=1S/C23H21ClN4O2/c1-15(14-30-17-9-7-16(24)8-10-17)25-23(29)19-13-22(21-11-12-28(2)27-21)26-20-6-4-3-5-18(19)20/h3-13,15H,14H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyJKWMNENDVWNVMZ-OAHLLOKOSA-N
MW420.90 g/mol
LogP4.49
Rot. Bonds6

About N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide

N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide (PubChem CID 124582230) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
PubChem CID124582230
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
SMILESC[C@H](COc1ccc(Cl)cc1)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc12
InChIInChI=1S/C23H21ClN4O2/c1-15(14-30-17-9-7-16(24)8-10-17)25-23(29)19-13-22(21-11-12-28(2)27-21)26-20-6-4-3-5-18(19)20/h3-13,15H,14H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyJKWMNENDVWNVMZ-OAHLLOKOSA-N
XLogP4.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-4-(azepan-1-yl)butan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 92627694
2-(1-methylpyrazol-3-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626923
N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 46098242
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
CID 94625096
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide (CID 124582230) is N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide is C[C@H](COc1ccc(Cl)cc1)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc12.
What is the InChIKey of N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide?
The InChIKey is JKWMNENDVWNVMZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15(14-30-17-9-7-16(24)8-10-17)25-23(29)19-13-22(21-11-12-28(2)27-21)26-20-6-4-3-5-18(19)20/h3-13,15H,14H2,1-2H3,(H,25,29)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide?
N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chlorophenoxy)propan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 124582230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).