N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide

C18H16N4OS — CID 110237742

IUPACN-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCc2nc(-c3ccncc3)ncc21)c1cccs1
InChIInChI=1S/C18H16N4OS/c23-18(16-5-2-10-24-16)22-15-4-1-3-14-13(15)11-20-17(21-14)12-6-8-19-9-7-12/h2,5-11,15H,1,3-4H2,(H,22,23)
InChIKeySTOMZZLGWDEBMO-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.41
Rot. Bonds3

About N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide

N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide (PubChem CID 110237742) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide
PubChem CID110237742
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCc2nc(-c3ccncc3)ncc21)c1cccs1
InChIInChI=1S/C18H16N4OS/c23-18(16-5-2-10-24-16)22-15-4-1-3-14-13(15)11-20-17(21-14)12-6-8-19-9-7-12/h2,5-11,15H,1,3-4H2,(H,22,23)
InChIKeySTOMZZLGWDEBMO-UHFFFAOYSA-N
XLogP3.41
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
(2R)-2-phenyl-N-[(5S)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582688
(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582687
1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide
CID 95384907
N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide
CID 45235406
2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
CID 51589334
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95384913
2-(3-methylpyrazol-1-yl)-N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 56731455
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide (CID 110237742) is N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide is O=C(NC1CCCc2nc(-c3ccncc3)ncc21)c1cccs1.
What is the InChIKey of N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide?
The InChIKey is STOMZZLGWDEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c23-18(16-5-2-10-24-16)22-15-4-1-3-14-13(15)11-20-17(21-14)12-6-8-19-9-7-12/h2,5-11,15H,1,3-4H2,(H,22,23).
What are the key properties of N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide?
N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 110237742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).