N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide

C25H27N5O2S — CID 146308909

IUPACN,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(CN2CCC(C(=O)N(C)C)CC2)cc2c(=O)[nH]c(-c3cc4sccc4cn3)nc12
InChIInChI=1S/C25H27N5O2S/c1-15-10-16(14-30-7-4-17(5-8-30)25(32)29(2)3)11-19-22(15)27-23(28-24(19)31)20-12-21-18(13-26-20)6-9-33-21/h6,9-13,17H,4-5,7-8,14H2,1-3H3,(H,27,28,31)
InChIKeyNSJSWYISCFUIDN-UHFFFAOYSA-N
MW461.59 g/mol
LogP3.81
Rot. Bonds4

About N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide

N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide (PubChem CID 146308909) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide
PubChem CID146308909
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC NameN,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(CN2CCC(C(=O)N(C)C)CC2)cc2c(=O)[nH]c(-c3cc4sccc4cn3)nc12
InChIInChI=1S/C25H27N5O2S/c1-15-10-16(14-30-7-4-17(5-8-30)25(32)29(2)3)11-19-22(15)27-23(28-24(19)31)20-12-21-18(13-26-20)6-9-33-21/h6,9-13,17H,4-5,7-8,14H2,1-3H3,(H,27,28,31)
InChIKeyNSJSWYISCFUIDN-UHFFFAOYSA-N
XLogP3.81
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308952
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-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146308949
8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
CID 146308846
8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one
CID 146308981
1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 69105973
1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78788253
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56515554
8-methyl-6-[2-(4-methyl-3-oxopiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146308958
N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide
CID 166228442
N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
CID 110244182

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 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) is N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide is Cc1cc(CN2CCC(C(=O)N(C)C)CC2)cc2c(=O)[nH]c(-c3cc4sccc4cn3)nc12.
What is the InChIKey of N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide?
The InChIKey is NSJSWYISCFUIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-15-10-16(14-30-7-4-17(5-8-30)25(32)29(2)3)11-19-22(15)27-23(28-24(19)31)20-12-21-18(13-26-20)6-9-33-21/h6,9-13,17H,4-5,7-8,14H2,1-3H3,(H,27,28,31).
What are the key properties of N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(8-methyl-4-oxo-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-6-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 146308909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).