azepino[2,1-b]quinazoline

C13H10N2 — CID 54195578

IUPACazepino[2,1-b]quinazoline
SMILESC1=CC=C2N=c3ccccc3=CN2C=C1
InChIInChI=1S/C13H10N2/c1-2-8-13-14-12-7-4-3-6-11(12)10-15(13)9-5-1/h1-10H
InChIKeyPLOKAGZSTOYSIK-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.28
Rot. Bonds

About azepino[2,1-b]quinazoline

azepino[2,1-b]quinazoline (PubChem CID 54195578) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is azepino[2,1-b]quinazoline.

Molecular Properties

Compound Nameazepino[2,1-b]quinazoline
PubChem CID54195578
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Nameazepino[2,1-b]quinazoline
SMILESC1=CC=C2N=c3ccccc3=CN2C=C1
InChIInChI=1S/C13H10N2/c1-2-8-13-14-12-7-4-3-6-11(12)10-15(13)9-5-1/h1-10H
InChIKeyPLOKAGZSTOYSIK-UHFFFAOYSA-N
XLogP1.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylquinazolinone
CID 70515486
Quinazoline, 2,3-dihydro-2-imino-3-methyl-
CID 171383925
Pyrido[2,1-b]quinazoline
CID 16637595
3-Aminoquinazoline
CID 21760986
3-Bromoquinazoline
CID 21897181
Quinazoline-3-ol
CID 23192565
Pyrrolo[2,1-c][1,4]benzodiazepine
CID 66697609
3-Methylquinazoline
CID 68345740
Pyrimido[2,1-b]quinazoline
CID 70598125
Pyrazino[2,1-b]quinazoline
CID 129653308
Benzo[b]pyrazino[1',2':1,2]pyrrolo[2,3-e][1,4]di-azepine
CID 129754045
Pyrrolo[1,2-d][1,4]benzodiazepine
CID 129876712

Frequently Asked Questions

What is the IUPAC name of azepino[2,1-b]quinazoline?
The IUPAC name of azepino[2,1-b]quinazoline (CID 54195578) is azepino[2,1-b]quinazoline.
What is the SMILES notation for azepino[2,1-b]quinazoline?
The canonical SMILES for azepino[2,1-b]quinazoline is C1=CC=C2N=c3ccccc3=CN2C=C1.
What is the InChIKey of azepino[2,1-b]quinazoline?
The InChIKey is PLOKAGZSTOYSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-8-13-14-12-7-4-3-6-11(12)10-15(13)9-5-1/h1-10H.
What are the key properties of azepino[2,1-b]quinazoline?
azepino[2,1-b]quinazoline has a molecular weight of 194.24 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepino[2,1-b]quinazoline is sourced from PubChem (CID 54195578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).