7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C27H22ClN3O5 — CID 52941668

IUPAC7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(Cl)cc3)c2cc1C(C)=O
InChIInChI=1S/C27H22ClN3O5/c1-16(32)20-14-21-22(15-25(20)34-2)29-10-9-24(21)36-19-7-8-23-26(13-19)35-12-11-31(23)27(33)30-18-5-3-17(28)4-6-18/h3-10,13-15H,11-12H2,1-2H3,(H,30,33)
InChIKeyOEEXVTUJQBGEMN-UHFFFAOYSA-N
MW503.94 g/mol
LogP6.32
Rot. Bonds5

About 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 52941668) has the molecular formula C27H22ClN3O5 and a molecular weight of 503.94 g/mol. Its IUPAC name is 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID52941668
Molecular FormulaC27H22ClN3O5
Molecular Weight503.94 g/mol
Exact Mass503.12
IUPAC Name7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(Cl)cc3)c2cc1C(C)=O
InChIInChI=1S/C27H22ClN3O5/c1-16(32)20-14-21-22(15-25(20)34-2)29-10-9-24(21)36-19-7-8-23-26(13-19)35-12-11-31(23)27(33)30-18-5-3-17(28)4-6-18/h3-10,13-15H,11-12H2,1-2H3,(H,30,33)
InChIKeyOEEXVTUJQBGEMN-UHFFFAOYSA-N
XLogP6.32
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.94
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Related Compounds

7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52944388
7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824319
7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 42624262
4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine
CID 69202302
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824191
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
CID 22935472
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
N-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]propanamide
CID 142073553
N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide
CID 151588460
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459

Frequently Asked Questions

What is the IUPAC name of 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 52941668) is 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(Cl)cc3)c2cc1C(C)=O.
What is the InChIKey of 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is OEEXVTUJQBGEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O5/c1-16(32)20-14-21-22(15-25(20)34-2)29-10-9-24(21)36-19-7-8-23-26(13-19)35-12-11-31(23)27(33)30-18-5-3-17(28)4-6-18/h3-10,13-15H,11-12H2,1-2H3,(H,30,33).
What are the key properties of 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 503.94 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 52941668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).