12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline

C14H16N2 — CID 46905533

IUPAC12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
SMILESC=C1c2ccccc2N=C2CCCCCN12
InChIInChI=1S/C14H16N2/c1-11-12-7-4-5-8-13(12)15-14-9-3-2-6-10-16(11)14/h4-5,7-8H,1-3,6,9-10H2
InChIKeyCFBDZCKTSONAGK-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.58
Rot. Bonds

About 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline

12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline (PubChem CID 46905533) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline.

Molecular Properties

Compound Name12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
PubChem CID46905533
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
SMILESC=C1c2ccccc2N=C2CCCCCN12
InChIInChI=1S/C14H16N2/c1-11-12-7-4-5-8-13(12)15-14-9-3-2-6-10-16(11)14/h4-5,7-8H,1-3,6,9-10H2
InChIKeyCFBDZCKTSONAGK-UHFFFAOYSA-N
XLogP3.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
The IUPAC name of 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline (CID 46905533) is 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline.
What is the SMILES notation for 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
The canonical SMILES for 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline is C=C1c2ccccc2N=C2CCCCCN12.
What is the InChIKey of 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
The InChIKey is CFBDZCKTSONAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-12-7-4-5-8-13(12)15-14-9-3-2-6-10-16(11)14/h4-5,7-8H,1-3,6,9-10H2.
What are the key properties of 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline has a molecular weight of 212.30 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline is sourced from PubChem (CID 46905533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).