6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one

C30H26Br2N4O3 — CID 3123194

IUPAC6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(CN1CCOCC1)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)CC1c1ccc(Br)cc1
InChIInChI=1S/C30H26Br2N4O3/c31-21-8-6-19(7-9-21)26-17-25(34-36(26)27(37)18-35-12-14-39-15-13-35)29-28(20-4-2-1-3-5-20)23-16-22(32)10-11-24(23)33-30(29)38/h1-11,16,26H,12-15,17-18H2,(H,33,38)
InChIKeyNOMZTKNJINJDLK-UHFFFAOYSA-N
MW650.37 g/mol
LogP5.73
Rot. Bonds5

About 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one

6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 3123194) has the molecular formula C30H26Br2N4O3 and a molecular weight of 650.37 g/mol. Its IUPAC name is 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID3123194
Molecular FormulaC30H26Br2N4O3
Molecular Weight650.37 g/mol
Exact Mass648.04
IUPAC Name6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(CN1CCOCC1)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)CC1c1ccc(Br)cc1
InChIInChI=1S/C30H26Br2N4O3/c31-21-8-6-19(7-9-21)26-17-25(34-36(26)27(37)18-35-12-14-39-15-13-35)29-28(20-4-2-1-3-5-20)23-16-22(32)10-11-24(23)33-30(29)38/h1-11,16,26H,12-15,17-18H2,(H,33,38)
InChIKeyNOMZTKNJINJDLK-UHFFFAOYSA-N
XLogP5.73
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.37
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-[(3S)-3-(4-bromophenyl)-2-(2-piperidin-1-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 135627138
6-bromo-3-[3-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)acetyl]-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 4312581
6-bromo-3-[(3S)-2-(2-bromobenzoyl)-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 136690081
4-[(3R)-3-(4-bromophenyl)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 136857956
4-[(3S)-3-(4-bromophenyl)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 136857955
4-[(3S)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-[4-(diethylamino)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 136752329
6-bromo-3-[(3R)-3-(4-bromophenyl)-2-(3,4,5-trimethoxybenzoyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 135627134
6-bromo-4-phenyl-3-[3-phenyl-2-(pyridine-3-carbonyl)-3,4-dihydropyrazol-5-yl]-1H-quinolin-2-one
CID 3093871
6-chloro-3-[(3R)-3-(4-methoxyphenyl)-2-(2-piperidin-1-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 136691265
6-chloro-3-[(3S)-3-(4-methoxyphenyl)-2-(2-piperidin-1-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 136691264
6-bromo-3-[(3S)-3-(4-methoxyphenyl)-2-[(Z)-3-phenylprop-2-enoyl]-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 136690071
6-bromo-3-[(3R)-2-(4-fluorobenzoyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 137083554

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one (CID 3123194) is 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one is O=C(CN1CCOCC1)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)CC1c1ccc(Br)cc1.
What is the InChIKey of 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is NOMZTKNJINJDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Br2N4O3/c31-21-8-6-19(7-9-21)26-17-25(34-36(26)27(37)18-35-12-14-39-15-13-35)29-28(20-4-2-1-3-5-20)23-16-22(32)10-11-24(23)33-30(29)38/h1-11,16,26H,12-15,17-18H2,(H,33,38).
What are the key properties of 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 650.37 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[3-(4-bromophenyl)-2-(2-morpholin-4-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 3123194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).