N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C28H26N4O2 — CID 26006252

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESO=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H26N4O2/c33-26(16-15-22-17-21-11-7-8-14-25(21)30-28(22)34)29-18-23-19-32(24-12-5-2-6-13-24)31-27(23)20-9-3-1-4-10-20/h1-14,19,22H,15-18H2,(H,29,33)(H,30,34)/t22-/m1/s1
InChIKeyOGSJTXSAOCGHTG-JOCHJYFZSA-N
MW450.54 g/mol
LogP4.75
Rot. Bonds7

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 26006252) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
PubChem CID26006252
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESO=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H26N4O2/c33-26(16-15-22-17-21-11-7-8-14-25(21)30-28(22)34)29-18-23-19-32(24-12-5-2-6-13-24)31-27(23)20-9-3-1-4-10-20/h1-14,19,22H,15-18H2,(H,29,33)(H,30,34)/t22-/m1/s1
InChIKeyOGSJTXSAOCGHTG-JOCHJYFZSA-N
XLogP4.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]butanamide
CID 24516173
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119641050
N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111464117
2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55381378
(2R)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8589833
2-[2-fluoro-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 122110056
(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 94799862

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 26006252) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The InChIKey is OGSJTXSAOCGHTG-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H26N4O2/c33-26(16-15-22-17-21-11-7-8-14-25(21)30-28(22)34)29-18-23-19-32(24-12-5-2-6-13-24)31-27(23)20-9-3-1-4-10-20/h1-14,19,22H,15-18H2,(H,29,33)(H,30,34)/t22-/m1/s1.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 450.54 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 26006252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).