7,8,9,10-tetrahydroazepino[2,1-b]quinazoline

C13H14N2 — CID 54367030

IUPAC7,8,9,10-tetrahydroazepino[2,1-b]quinazoline
SMILESC1=C2N=c3ccccc3=CN2CCCC1
InChIInChI=1S/C13H14N2/c1-2-8-13-14-12-7-4-3-6-11(12)10-15(13)9-5-1/h3-4,6-8,10H,1-2,5,9H2
InChIKeyUQMZCBGTZGINCN-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.39
Rot. Bonds

About 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline

7,8,9,10-tetrahydroazepino[2,1-b]quinazoline (PubChem CID 54367030) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline.

Molecular Properties

Compound Name7,8,9,10-tetrahydroazepino[2,1-b]quinazoline
PubChem CID54367030
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name7,8,9,10-tetrahydroazepino[2,1-b]quinazoline
SMILESC1=C2N=c3ccccc3=CN2CCCC1
InChIInChI=1S/C13H14N2/c1-2-8-13-14-12-7-4-3-6-11(12)10-15(13)9-5-1/h3-4,6-8,10H,1-2,5,9H2
InChIKeyUQMZCBGTZGINCN-UHFFFAOYSA-N
XLogP1.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrido[2,1-b]quinazoline
CID 16637595
Azepino[2,1-b]quinazoline
CID 54195578
Tetrahydropyrrolo[2,1-b]quinazoline
CID 67838209
3-Methylquinazoline
CID 68345740
Pyrazino[2,1-b]quinazoline
CID 129653308
3-cyclohexyl-2-fluoro-2H-quinazoline
CID 150567049
13aH-quinolino[2,1-b]quinazoline
CID 90726576
Quinazolino[3,2-b][2]-benzazepine
CID 129798713
2,3-dimethyl-2H-quinazoline
CID 23503296
2,10-Diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene
CID 57027291
3H-imidazo[1,5-d][1,4]benzodiazepine
CID 67726965
2,10-Diazatetracyclo[10.2.1.02,11.04,9]pentadeca-3,5,7,9,11,13-hexaene
CID 67872332

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline?
The IUPAC name of 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline (CID 54367030) is 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline.
What is the SMILES notation for 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline?
The canonical SMILES for 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline is C1=C2N=c3ccccc3=CN2CCCC1.
What is the InChIKey of 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline?
The InChIKey is UQMZCBGTZGINCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-8-13-14-12-7-4-3-6-11(12)10-15(13)9-5-1/h3-4,6-8,10H,1-2,5,9H2.
What are the key properties of 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline?
7,8,9,10-tetrahydroazepino[2,1-b]quinazoline has a molecular weight of 198.27 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydroazepino[2,1-b]quinazoline is sourced from PubChem (CID 54367030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).