N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide

C22H21N3O6 — CID 2004861

IUPACN-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc(OC)c1OC
InChIInChI=1S/C22H21N3O6/c1-28-18-9-13(10-19(29-2)20(18)30-3)21(27)25-22-23-11-14-15(24-22)7-12(8-16(14)26)17-5-4-6-31-17/h4-6,9-12H,7-8H2,1-3H3,(H,23,24,25,27)/t12-/m1/s1
InChIKeyCNEQSTVNPQFLPW-GFCCVEGCSA-N
MW423.43 g/mol
LogP3.26
Rot. Bonds6

About N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide

N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 2004861) has the molecular formula C22H21N3O6 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID2004861
Molecular FormulaC22H21N3O6
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC NameN-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc(OC)c1OC
InChIInChI=1S/C22H21N3O6/c1-28-18-9-13(10-19(29-2)20(18)30-3)21(27)25-22-23-11-14-15(24-22)7-12(8-16(14)26)17-5-4-6-31-17/h4-6,9-12H,7-8H2,1-3H3,(H,23,24,25,27)/t12-/m1/s1
InChIKeyCNEQSTVNPQFLPW-GFCCVEGCSA-N
XLogP3.26
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide with MolForge

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Related Compounds

N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2886839
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
CID 3137931
2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 40968935
1-(3,4-dichlorophenyl)-3-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]urea
CID 1314954
(7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 1402026
N-[(7R)-7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3-methylbenzamide
CID 2021715
2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 5297233
(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2042847
3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 5174165
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3834422
(7R)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 1399294
(7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 1400850

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide (CID 2004861) is N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc(OC)c1OC.
What is the InChIKey of N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is CNEQSTVNPQFLPW-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H21N3O6/c1-28-18-9-13(10-19(29-2)20(18)30-3)21(27)25-22-23-11-14-15(24-22)7-12(8-16(14)26)17-5-4-6-31-17/h4-6,9-12H,7-8H2,1-3H3,(H,23,24,25,27)/t12-/m1/s1.
What are the key properties of N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide?
N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 423.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2004861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).