1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one

C32H32N4O6 — CID 45235874

IUPAC1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one
SMILESCOc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCN(C(=O)c3cccc(N5CCNC5=O)c3)C4)cc(C)c2c1
InChIInChI=1S/C32H32N4O6/c1-19-12-26(34-29-25(19)16-24(39-2)17-27(29)40-3)21-13-22-18-35(10-11-42-30(22)28(15-21)41-4)31(37)20-6-5-7-23(14-20)36-9-8-33-32(36)38/h5-7,12-17H,8-11,18H2,1-4H3,(H,33,38)
InChIKeyOSSLDDVXIRTZCM-UHFFFAOYSA-N
MW568.63 g/mol
LogP4.80
Rot. Bonds6

About 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one

1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 45235874) has the molecular formula C32H32N4O6 and a molecular weight of 568.63 g/mol. Its IUPAC name is 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one
PubChem CID45235874
Molecular FormulaC32H32N4O6
Molecular Weight568.63 g/mol
Exact Mass568.23
IUPAC Name1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one
SMILESCOc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCN(C(=O)c3cccc(N5CCNC5=O)c3)C4)cc(C)c2c1
InChIInChI=1S/C32H32N4O6/c1-19-12-26(34-29-25(19)16-24(39-2)17-27(29)40-3)21-13-22-18-35(10-11-42-30(22)28(15-21)41-4)31(37)20-6-5-7-23(14-20)36-9-8-33-32(36)38/h5-7,12-17H,8-11,18H2,1-4H3,(H,33,38)
InChIKeyOSSLDDVXIRTZCM-UHFFFAOYSA-N
XLogP4.80
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.63
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one with MolForge

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Related Compounds

cyclopropyl-[9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 42171155
7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 118760142
1-[9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 42376220
2-[9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-methylacetamide
CID 56710503
1-[4-[2-[7-(3-chlorophenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]phenyl]imidazolidin-2-one
CID 26282477
1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one
CID 170508919
4-(1H-imidazol-2-ylmethyl)-9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 56715015
(3S)-3-[2-[7-(5,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 98249210
1-[7-(5,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 42357935
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 72940866
(9-hydroxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(4-methoxyphenyl)methanone
CID 56714661
[7-(1,3-benzothiazol-2-yl)-9-[(3R)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-methoxyphenyl)methanone
CID 42500487

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one (CID 45235874) is 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one is COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCN(C(=O)c3cccc(N5CCNC5=O)c3)C4)cc(C)c2c1.
What is the InChIKey of 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is OSSLDDVXIRTZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O6/c1-19-12-26(34-29-25(19)16-24(39-2)17-27(29)40-3)21-13-22-18-35(10-11-42-30(22)28(15-21)41-4)31(37)20-6-5-7-23(14-20)36-9-8-33-32(36)38/h5-7,12-17H,8-11,18H2,1-4H3,(H,33,38).
What are the key properties of 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 568.63 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 45235874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).