8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

C21H18N4O3S — CID 146308949

IUPAC8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESCc1cc(OC2CC(=O)N(C)C2)cc2c(=O)[nH]c(-c3cc4sccc4cn3)nc12
InChIInChI=1S/C21H18N4O3S/c1-11-5-13(28-14-7-18(26)25(2)10-14)6-15-19(11)23-20(24-21(15)27)16-8-17-12(9-22-16)3-4-29-17/h3-6,8-9,14H,7,10H2,1-2H3,(H,23,24,27)
InChIKeyKPIXFPGJYULQDC-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.12
Rot. Bonds3

About 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (PubChem CID 146308949) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
PubChem CID146308949
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESCc1cc(OC2CC(=O)N(C)C2)cc2c(=O)[nH]c(-c3cc4sccc4cn3)nc12
InChIInChI=1S/C21H18N4O3S/c1-11-5-13(28-14-7-18(26)25(2)10-14)6-15-19(11)23-20(24-21(15)27)16-8-17-12(9-22-16)3-4-29-17/h3-6,8-9,14H,7,10H2,1-2H3,(H,23,24,27)
InChIKeyKPIXFPGJYULQDC-UHFFFAOYSA-N
XLogP3.12
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-6-(2-morpholin-4-ylethyl)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146308965
8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308952
N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide
CID 146308909
6-[(2,2-dimethylpiperidin-1-yl)methyl]-8-methyl-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one;formamide
CID 175112061
tert-butyl 4-(4-oxo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-6-yl)piperidine-1-carboxylate
CID 146308956
8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
CID 146308790
6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308864
8-methyl-6-[2-(4-methyl-3-oxopiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146308958
8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
CID 146308846
6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 153396896
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
(4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one
CID 125488924

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (CID 146308949) is 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is Cc1cc(OC2CC(=O)N(C)C2)cc2c(=O)[nH]c(-c3cc4sccc4cn3)nc12.
What is the InChIKey of 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The InChIKey is KPIXFPGJYULQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-11-5-13(28-14-7-18(26)25(2)10-14)6-15-19(11)23-20(24-21(15)27)16-8-17-12(9-22-16)3-4-29-17/h3-6,8-9,14H,7,10H2,1-2H3,(H,23,24,27).
What are the key properties of 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one has a molecular weight of 406.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146308949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).