N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide

C20H20N4OS — CID 45235406

IUPACN-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C20H20N4OS/c25-19(9-8-15-5-3-11-26-15)23-17-6-1-7-18-16(17)13-22-20(24-18)14-4-2-10-21-12-14/h2-5,10-13,17H,1,6-9H2,(H,23,25)
InChIKeyCZXCJMPGUIMQID-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.73
Rot. Bonds5

About N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide

N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide (PubChem CID 45235406) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide
PubChem CID45235406
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C20H20N4OS/c25-19(9-8-15-5-3-11-26-15)23-17-6-1-7-18-16(17)13-22-20(24-18)14-4-2-10-21-12-14/h2-5,10-13,17H,1,6-9H2,(H,23,25)
InChIKeyCZXCJMPGUIMQID-UHFFFAOYSA-N
XLogP3.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(furan-2-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 56731447
4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 72907237
N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
CID 25379238
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72852912
2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97131151
2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
CID 51589334
N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide
CID 110237742
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol
CID 45252320
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 72860377
3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
CID 25454443

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide (CID 45235406) is N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NC1CCCc2nc(-c3cccnc3)ncc21.
What is the InChIKey of N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is CZXCJMPGUIMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-19(9-8-15-5-3-11-26-15)23-17-6-1-7-18-16(17)13-22-20(24-18)14-4-2-10-21-12-14/h2-5,10-13,17H,1,6-9H2,(H,23,25).
What are the key properties of N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide?
N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 364.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 45235406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).