4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine

C16H16N4S — CID 65336937

IUPAC4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine
SMILESNc1ccc2c(NC3CCCc4sccc43)ncnc2c1
InChIInChI=1S/C16H16N4S/c17-10-4-5-12-14(8-10)18-9-19-16(12)20-13-2-1-3-15-11(13)6-7-21-15/h4-9,13H,1-3,17H2,(H,18,19,20)
InChIKeyUGCLRQHDFLDAOL-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.76
Rot. Bonds2

About 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine

4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine (PubChem CID 65336937) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine
PubChem CID65336937
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine
SMILESNc1ccc2c(NC3CCCc4sccc43)ncnc2c1
InChIInChI=1S/C16H16N4S/c17-10-4-5-12-14(8-10)18-9-19-16(12)20-13-2-1-3-15-11(13)6-7-21-15/h4-9,13H,1-3,17H2,(H,18,19,20)
InChIKeyUGCLRQHDFLDAOL-UHFFFAOYSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,6-diamine
CID 64588910
6-chloro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,5-diamine
CID 63024131
1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650383
6-N,5-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,6-diamine
CID 80824800
4-methyl-3-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,3-diamine
CID 62840454
6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 66327688
6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 63728708
4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine
CID 65336893
5-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824547
5-bromo-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824799
3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 102761994
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
CID 62845453

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine (CID 65336937) is 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine is Nc1ccc2c(NC3CCCc4sccc43)ncnc2c1.
What is the InChIKey of 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine?
The InChIKey is UGCLRQHDFLDAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c17-10-4-5-12-14(8-10)18-9-19-16(12)20-13-2-1-3-15-11(13)6-7-21-15/h4-9,13H,1-3,17H2,(H,18,19,20).
What are the key properties of 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine?
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine has a molecular weight of 296.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine is sourced from PubChem (CID 65336937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).