N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide

C17H13N3OS — CID 2769026

IUPACN-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccs1
InChIInChI=1S/C17H13N3OS/c21-16(14-6-3-9-22-14)20-17-18-10-12-8-7-11-4-1-2-5-13(11)15(12)19-17/h1-6,9-10H,7-8H2,(H,18,19,20,21)
InChIKeyKIWRFBMYXOFTFQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.56
Rot. Bonds2

About N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide

N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide (PubChem CID 2769026) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide
PubChem CID2769026
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccs1
InChIInChI=1S/C17H13N3OS/c21-16(14-6-3-9-22-14)20-17-18-10-12-8-7-11-4-1-2-5-13(11)15(12)19-17/h1-6,9-10H,7-8H2,(H,18,19,20,21)
InChIKeyKIWRFBMYXOFTFQ-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide (CID 2769026) is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide is O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccs1.
What is the InChIKey of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide?
The InChIKey is KIWRFBMYXOFTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16(14-6-3-9-22-14)20-17-18-10-12-8-7-11-4-1-2-5-13(11)15(12)19-17/h1-6,9-10H,7-8H2,(H,18,19,20,21).
What are the key properties of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide?
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2769026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).