[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone

C43H36N4O3 — CID 177077621

IUPAC[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(-c2cccc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C43H36N4O3/c1-49-41-28-38(39-27-33(20-21-40(39)45-41)42(48)46-22-24-50-25-23-46)32-13-11-12-31(26-32)34-29-44-47(30-34)43(35-14-5-2-6-15-35,36-16-7-3-8-17-36)37-18-9-4-10-19-37/h2-21,26-30H,22-25H2,1H3
InChIKeyNOYYJWPWBNEINJ-UHFFFAOYSA-N
MW656.79 g/mol
LogP8.09
Rot. Bonds8

About [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone

[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone (PubChem CID 177077621) has the molecular formula C43H36N4O3 and a molecular weight of 656.79 g/mol. Its IUPAC name is [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone
PubChem CID177077621
Molecular FormulaC43H36N4O3
Molecular Weight656.79 g/mol
Exact Mass656.28
IUPAC Name[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(-c2cccc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C43H36N4O3/c1-49-41-28-38(39-27-33(20-21-40(39)45-41)42(48)46-22-24-50-25-23-46)32-13-11-12-31(26-32)34-29-44-47(30-34)43(35-14-5-2-6-15-35,36-16-7-3-8-17-36)37-18-9-4-10-19-37/h2-21,26-30H,22-25H2,1H3
InChIKeyNOYYJWPWBNEINJ-UHFFFAOYSA-N
XLogP8.09
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
CID 177077740
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 177077561
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
CID 177077639
(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077562
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077600
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
[3-(2,6-dimethoxyphenyl)-5-[3-(morpholine-4-carbonyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 143540455
methyl 7-(morpholine-4-carbonyl)-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxylate
CID 148593783
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 2965405

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone (CID 177077621) is [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone is COc1cc(-c2cccc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)c2cc(C(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is NOYYJWPWBNEINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N4O3/c1-49-41-28-38(39-27-33(20-21-40(39)45-41)42(48)46-22-24-50-25-23-46)32-13-11-12-31(26-32)34-29-44-47(30-34)43(35-14-5-2-6-15-35,36-16-7-3-8-17-36)37-18-9-4-10-19-37/h2-21,26-30H,22-25H2,1H3.
What are the key properties of [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone?
[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 656.79 g/mol, XLogP of 8.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 177077621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).