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

C27H24N4O5 — CID 24824189

IUPAC7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(C)cc3)c2cc1C(N)=O
InChIInChI=1S/C27H24N4O5/c1-16-3-5-17(6-4-16)30-27(33)31-11-12-35-25-13-18(7-8-22(25)31)36-23-9-10-29-21-15-24(34-2)20(26(28)32)14-19(21)23/h3-10,13-15H,11-12H2,1-2H3,(H2,28,32)(H,30,33)
InChIKeyCEIYRBYXRSULDG-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.87
Rot. Bonds5

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

7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 24824189) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is 7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID24824189
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Name7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(C)cc3)c2cc1C(N)=O
InChIInChI=1S/C27H24N4O5/c1-16-3-5-17(6-4-16)30-27(33)31-11-12-35-25-13-18(7-8-22(25)31)36-23-9-10-29-21-15-24(34-2)20(26(28)32)14-19(21)23/h3-10,13-15H,11-12H2,1-2H3,(H2,28,32)(H,30,33)
InChIKeyCEIYRBYXRSULDG-UHFFFAOYSA-N
XLogP4.87
TPSA116.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 24824189) is 7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(C)cc3)c2cc1C(N)=O.
What is the InChIKey of 7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is CEIYRBYXRSULDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-16-3-5-17(6-4-16)30-27(33)31-11-12-35-25-13-18(7-8-22(25)31)36-23-9-10-29-21-15-24(34-2)20(26(28)32)14-19(21)23/h3-10,13-15H,11-12H2,1-2H3,(H2,28,32)(H,30,33).
What are the key properties of 7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 24824189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).