[2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone

C30H30N2O4S — CID 72968073

IUPAC[2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1sccc1C(=O)N1CCCC1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C30H30N2O4S/c1-17-16-30(2,3)31-20-8-7-19-26(25(17)20)23(36-22-10-9-21(33)28(35-4)27(19)22)15-24-18(11-14-37-24)29(34)32-12-5-6-13-32/h7-11,14-16,31,33H,5-6,12-13H2,1-4H3
InChIKeyMNXSYTIVMGTCQZ-UHFFFAOYSA-N
MW514.65 g/mol
LogP6.86
Rot. Bonds3

About [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone

[2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72968073) has the molecular formula C30H30N2O4S and a molecular weight of 514.65 g/mol. Its IUPAC name is [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID72968073
Molecular FormulaC30H30N2O4S
Molecular Weight514.65 g/mol
Exact Mass514.19
IUPAC Name[2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1sccc1C(=O)N1CCCC1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C30H30N2O4S/c1-17-16-30(2,3)31-20-8-7-19-26(25(17)20)23(36-22-10-9-21(33)28(35-4)27(19)22)15-24-18(11-14-37-24)29(34)32-12-5-6-13-32/h7-11,14-16,31,33H,5-6,12-13H2,1-4H3
InChIKeyMNXSYTIVMGTCQZ-UHFFFAOYSA-N
XLogP6.86
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[2-[(Z)-(9-hydroxy-10-methoxy-2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-piperidin-1-ylmethanone
CID 23656705
[5-fluoro-2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-morpholin-4-ylmethanone
CID 72768881
(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11295406
(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11213215
(5Z)-5-[[3-(2,2-difluoroethoxy)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11340817
(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 22314988
5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 54090511
5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 10239588
(5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 10741917
piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone
CID 17036229
(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 68943364
5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 69417493

Frequently Asked Questions

What is the IUPAC name of [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone (CID 72968073) is [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone is COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1sccc1C(=O)N1CCCC1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MNXSYTIVMGTCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4S/c1-17-16-30(2,3)31-20-8-7-19-26(25(17)20)23(36-22-10-9-21(33)28(35-4)27(19)22)15-24-18(11-14-37-24)29(34)32-12-5-6-13-32/h7-11,14-16,31,33H,5-6,12-13H2,1-4H3.
What are the key properties of [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone?
[2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 514.65 g/mol, XLogP of 6.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophen-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72968073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).