thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate

C23H24N4O6S — CID 11648740

IUPACthiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate
SMILESCOc1cc(C(=O)NC2CCc3nc(NC(=O)Oc4cccs4)ncc3C2)cc(OC)c1OC
InChIInChI=1S/C23H24N4O6S/c1-30-17-10-13(11-18(31-2)20(17)32-3)21(28)25-15-6-7-16-14(9-15)12-24-22(26-16)27-23(29)33-19-5-4-8-34-19/h4-5,8,10-12,15H,6-7,9H2,1-3H3,(H,25,28)(H,24,26,27,29)
InChIKeySLZLOZKEVOHMAH-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.46
Rot. Bonds7

About thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate

thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate (PubChem CID 11648740) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate.

Molecular Properties

Compound Namethiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate
PubChem CID11648740
Molecular FormulaC23H24N4O6S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC Namethiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate
SMILESCOc1cc(C(=O)NC2CCc3nc(NC(=O)Oc4cccs4)ncc3C2)cc(OC)c1OC
InChIInChI=1S/C23H24N4O6S/c1-30-17-10-13(11-18(31-2)20(17)32-3)21(28)25-15-6-7-16-14(9-15)12-24-22(26-16)27-23(29)33-19-5-4-8-34-19/h4-5,8,10-12,15H,6-7,9H2,1-3H3,(H,25,28)(H,24,26,27,29)
InChIKeySLZLOZKEVOHMAH-UHFFFAOYSA-N
XLogP3.46
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate with MolForge

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Related Compounds

6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide
CID 68679492
N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 68679496
N-[6-[4-(4-chloro-2-methylphenoxy)butanoylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]thiophene-2-carboxamide
CID 159494030
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
3,4,5-trimethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91888122
N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide
CID 2004861
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
[(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea
CID 28820446
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
CID 46368946

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate?
The IUPAC name of thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate (CID 11648740) is thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate.
What is the SMILES notation for thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate?
The canonical SMILES for thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate is COc1cc(C(=O)NC2CCc3nc(NC(=O)Oc4cccs4)ncc3C2)cc(OC)c1OC.
What is the InChIKey of thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate?
The InChIKey is SLZLOZKEVOHMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S/c1-30-17-10-13(11-18(31-2)20(17)32-3)21(28)25-15-6-7-16-14(9-15)12-24-22(26-16)27-23(29)33-19-5-4-8-34-19/h4-5,8,10-12,15H,6-7,9H2,1-3H3,(H,25,28)(H,24,26,27,29).
What are the key properties of thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate?
thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate has a molecular weight of 484.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate is sourced from PubChem (CID 11648740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).