5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide

C19H23ClN4OS — CID 91631760

IUPAC5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1nc2c(c(N3CCC(NC(=O)c4ccc(Cl)s4)CC3)n1)CCCC2
InChIInChI=1S/C19H23ClN4OS/c1-12-21-15-5-3-2-4-14(15)18(22-12)24-10-8-13(9-11-24)23-19(25)16-6-7-17(20)26-16/h6-7,13H,2-5,8-11H2,1H3,(H,23,25)
InChIKeyMGEKKGCFTQTJLW-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.78
Rot. Bonds3

About 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide

5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 91631760) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID91631760
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC Name5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1nc2c(c(N3CCC(NC(=O)c4ccc(Cl)s4)CC3)n1)CCCC2
InChIInChI=1S/C19H23ClN4OS/c1-12-21-15-5-3-2-4-14(15)18(22-12)24-10-8-13(9-11-24)23-19(25)16-6-7-17(20)26-16/h6-7,13H,2-5,8-11H2,1H3,(H,23,25)
InChIKeyMGEKKGCFTQTJLW-UHFFFAOYSA-N
XLogP3.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide (CID 91631760) is 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide is Cc1nc2c(c(N3CCC(NC(=O)c4ccc(Cl)s4)CC3)n1)CCCC2.
What is the InChIKey of 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is MGEKKGCFTQTJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4OS/c1-12-21-15-5-3-2-4-14(15)18(22-12)24-10-8-13(9-11-24)23-19(25)16-6-7-17(20)26-16/h6-7,13H,2-5,8-11H2,1H3,(H,23,25).
What are the key properties of 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 390.94 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91631760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).