12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

C14H18N2 — CID 67836549

IUPAC12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESCC1c2ccccc2N=C2CCCCCN21
InChIInChI=1S/C14H18N2/c1-11-12-7-4-5-8-13(12)15-14-9-3-2-6-10-16(11)14/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeySEEHJXDGWTVEOY-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.67
Rot. Bonds

About 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (PubChem CID 67836549) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.

Molecular Properties

Compound Name12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
PubChem CID67836549
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESCC1c2ccccc2N=C2CCCCCN21
InChIInChI=1S/C14H18N2/c1-11-12-7-4-5-8-13(12)15-14-9-3-2-6-10-16(11)14/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeySEEHJXDGWTVEOY-UHFFFAOYSA-N
XLogP3.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The IUPAC name of 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (CID 67836549) is 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.
What is the SMILES notation for 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The canonical SMILES for 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is CC1c2ccccc2N=C2CCCCCN21.
What is the InChIKey of 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The InChIKey is SEEHJXDGWTVEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-12-7-4-5-8-13(12)15-14-9-3-2-6-10-16(11)14/h4-5,7-8,11H,2-3,6,9-10H2,1H3.
What are the key properties of 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline has a molecular weight of 214.31 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is sourced from PubChem (CID 67836549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).