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

C26H22ClN3O5 — CID 11375301

IUPACN-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C26H22ClN3O5/c1-32-24-14-19-20(15-25(24)33-2)28-10-9-22(19)35-18-7-8-21-23(13-18)34-12-11-30(21)26(31)29-17-5-3-16(27)4-6-17/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)
InChIKeyRNHWXYKRVZUXGO-UHFFFAOYSA-N
MW491.93 g/mol
LogP6.13
Rot. Bonds5

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

N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 11375301) has the molecular formula C26H22ClN3O5 and a molecular weight of 491.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID11375301
Molecular FormulaC26H22ClN3O5
Molecular Weight491.93 g/mol
Exact Mass491.12
IUPAC NameN-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C26H22ClN3O5/c1-32-24-14-19-20(15-25(24)33-2)28-10-9-22(19)35-18-7-8-21-23(13-18)34-12-11-30(21)26(31)29-17-5-3-16(27)4-6-17/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)
InChIKeyRNHWXYKRVZUXGO-UHFFFAOYSA-N
XLogP6.13
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.93
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(3-methylphenyl)urea
CID 11212549
N-(4-Chlorophenyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}urea
CID 11213083
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 11213588
1-[4-(6,7-Dimethoxy-quinolin-4-yloxy)-phenyl]-3-(2-methoxy-phenyl)-urea
CID 11224592
1-[4-(6,7-Dimethoxy-quinolin-4-yloxy)-phenyl]-3-(3-methoxy-phenyl)-urea
CID 11247801
N-(4-Fluorophenyl)-N'-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl}urea
CID 11270447
N-(2,3-Difluorophenyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}urea
CID 11270888
N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-phenylurea
CID 11292923
N-(2-Fluorophenyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}urea
CID 11305057
Ki-8751
CID 11317348
N-(2,4-Difluorophenyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}urea
CID 11328439
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 11328586

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 11375301) is N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(Cl)cc3)c2cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is RNHWXYKRVZUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5/c1-32-24-14-19-20(15-25(24)33-2)28-10-9-22(19)35-18-7-8-21-23(13-18)34-12-11-30(21)26(31)29-17-5-3-16(27)4-6-17/h3-10,13-15H,11-12H2,1-2H3,(H,29,31).
What are the key properties of N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 491.93 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 11375301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).