2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate

C23H22N2O4S — CID 175377752

IUPAC2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate
SMILESCOc1cc(C)c2[nH]c(=O)c3cscc3c2c1-c1ccc(C(C)COC(N)=O)cc1
InChIInChI=1S/C23H22N2O4S/c1-12-8-18(28-3)19(20-16-10-30-11-17(16)22(26)25-21(12)20)15-6-4-14(5-7-15)13(2)9-29-23(24)27/h4-8,10-11,13H,9H2,1-3H3,(H2,24,27)(H,25,26)
InChIKeyOEEPPWYQPGTQGB-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.93
Rot. Bonds5

About 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate

2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate (PubChem CID 175377752) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate.

Molecular Properties

Compound Name2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate
PubChem CID175377752
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate
SMILESCOc1cc(C)c2[nH]c(=O)c3cscc3c2c1-c1ccc(C(C)COC(N)=O)cc1
InChIInChI=1S/C23H22N2O4S/c1-12-8-18(28-3)19(20-16-10-30-11-17(16)22(26)25-21(12)20)15-6-4-14(5-7-15)13(2)9-29-23(24)27/h4-8,10-11,13H,9H2,1-3H3,(H2,24,27)(H,25,26)
InChIKeyOEEPPWYQPGTQGB-UHFFFAOYSA-N
XLogP4.93
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-fluoro-8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propylcarbamic acid
CID 118194188
9-[4-[4-(dimethylamino)butan-2-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67450415
9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67447177
tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[c][2,6]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549918
1-[4-[(1R)-1-aminoethyl]phenyl]-7-fluoro-2-methoxy-4-methyl-5H-phenanthridin-6-one;hydrochloride
CID 175751761
9-[4-[1-(dimethylamino)-3-methylbutan-2-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67452462
tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[f][1,7]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549962
9-[4-[3-(aminomethyl)pentan-3-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67449680
9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 118194110
tert-butyl N-[2-[4-(6-chloro-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]carbamate
CID 67450206
2-(4-phenylphenyl)propyl carbamate
CID 66715133
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-fluoro-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234953

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate?
The IUPAC name of 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate (CID 175377752) is 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate.
What is the SMILES notation for 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate?
The canonical SMILES for 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate is COc1cc(C)c2[nH]c(=O)c3cscc3c2c1-c1ccc(C(C)COC(N)=O)cc1.
What is the InChIKey of 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate?
The InChIKey is OEEPPWYQPGTQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-12-8-18(28-3)19(20-16-10-30-11-17(16)22(26)25-21(12)20)15-6-4-14(5-7-15)13(2)9-29-23(24)27/h4-8,10-11,13H,9H2,1-3H3,(H2,24,27)(H,25,26).
What are the key properties of 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate?
2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate has a molecular weight of 422.51 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate is sourced from PubChem (CID 175377752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).