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

C22H23N5OS — CID 146308952

IUPAC8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESCc1cc(CN2CCN(C)CC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C22H23N5OS/c1-14-9-15(13-27-6-4-26(2)5-7-27)10-17-20(14)24-21(25-22(17)28)18-11-16-3-8-29-19(16)12-23-18/h3,8-12H,4-7,13H2,1-2H3,(H,24,25,28)
InChIKeyIGFSVQQHCUQRCW-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.26
Rot. Bonds3

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

8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (PubChem CID 146308952) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
PubChem CID146308952
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESCc1cc(CN2CCN(C)CC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C22H23N5OS/c1-14-9-15(13-27-6-4-26(2)5-7-27)10-17-20(14)24-21(25-22(17)28)18-11-16-3-8-29-19(16)12-23-18/h3,8-12H,4-7,13H2,1-2H3,(H,24,25,28)
InChIKeyIGFSVQQHCUQRCW-UHFFFAOYSA-N
XLogP3.26
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one with MolForge

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Related Compounds

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
8-methyl-6-(2-morpholin-4-ylethyl)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146308965
6-[(2,2-dimethylpiperidin-1-yl)methyl]-8-methyl-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one;formamide
CID 175112061
8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one
CID 146308981
8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
CID 146308846
8-methyl-6-[2-(4-methyl-3-oxopiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146308958
8-cyclopropyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308993
6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 153396896
8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline
CID 119071430
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 143962339
2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidine
CID 172780100

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (CID 146308952) is 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is Cc1cc(CN2CCN(C)CC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12.
What is the InChIKey of 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The InChIKey is IGFSVQQHCUQRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-14-9-15(13-27-6-4-26(2)5-7-27)10-17-20(14)24-21(25-22(17)28)18-11-16-3-8-29-19(16)12-23-18/h3,8-12H,4-7,13H2,1-2H3,(H,24,25,28).
What are the key properties of 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one has a molecular weight of 405.53 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146308952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).