N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide

C34H35N3O7S — CID 67141282

IUPACN-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(C2NC(OC3CC3)C3=C2C(=O)C(OC2CC2)c2cccnc23)c(C)c1
InChIInChI=1S/C34H35N3O7S/c1-19-16-20(18-45(40,41)37-27(38)17-21-6-3-4-8-26(21)42-2)9-14-24(19)31-28-29(34(36-31)44-23-12-13-23)30-25(7-5-15-35-30)33(32(28)39)43-22-10-11-22/h3-9,14-16,22-23,31,33-34,36H,10-13,17-18H2,1-2H3,(H,37,38)
InChIKeyMPFRAYXNRSVSSO-UHFFFAOYSA-N
MW629.74 g/mol
LogP3.99
Rot. Bonds11

About N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide

N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 67141282) has the molecular formula C34H35N3O7S and a molecular weight of 629.74 g/mol. Its IUPAC name is N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide
PubChem CID67141282
Molecular FormulaC34H35N3O7S
Molecular Weight629.74 g/mol
Exact Mass629.22
IUPAC NameN-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(C2NC(OC3CC3)C3=C2C(=O)C(OC2CC2)c2cccnc23)c(C)c1
InChIInChI=1S/C34H35N3O7S/c1-19-16-20(18-45(40,41)37-27(38)17-21-6-3-4-8-26(21)42-2)9-14-24(19)31-28-29(34(36-31)44-23-12-13-23)30-25(7-5-15-35-30)33(32(28)39)43-22-10-11-22/h3-9,14-16,22-23,31,33-34,36H,10-13,17-18H2,1-2H3,(H,37,38)
InChIKeyMPFRAYXNRSVSSO-UHFFFAOYSA-N
XLogP3.99
TPSA132.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.74
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide with MolForge

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Related Compounds

N-[[4-(5,9-diethoxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 67142269
2-(2,6-dimethoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]-2-oxoacetamide
CID 87285135
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-ethoxyphenyl)acetamide
CID 15947546
N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide
CID 10210537
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 15948670
N-[[4-(5,9-diethoxy-6-oxo-1H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 91299630
2-(5-bromo-2-methoxyphenyl)-N-[[4-[6-hydroxy-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-h]quinolin-7-yl]-3-methylphenyl]methylsulfonyl]acetamide
CID 123273591
2-(2-methoxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24655876
(2-methoxyphenyl)methylsulfonylcarbamic acid
CID 141426793
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-(2-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1164310
N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide
CID 51119346

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide (CID 67141282) is N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(C2NC(OC3CC3)C3=C2C(=O)C(OC2CC2)c2cccnc23)c(C)c1.
What is the InChIKey of N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is MPFRAYXNRSVSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O7S/c1-19-16-20(18-45(40,41)37-27(38)17-21-6-3-4-8-26(21)42-2)9-14-24(19)31-28-29(34(36-31)44-23-12-13-23)30-25(7-5-15-35-30)33(32(28)39)43-22-10-11-22/h3-9,14-16,22-23,31,33-34,36H,10-13,17-18H2,1-2H3,(H,37,38).
What are the key properties of N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide?
N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 629.74 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5,9-dicyclopropyloxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 67141282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).