2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine

C15H19N3 — CID 18992571

IUPAC2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
SMILES[H]/N=c1/c2cc(C)c(C)cc2nc2n1CCCCC2
InChIInChI=1S/C15H19N3/c1-10-8-12-13(9-11(10)2)17-14-6-4-3-5-7-18(14)15(12)16/h8-9,16H,3-7H2,1-2H3/b16-15-
InChIKeyHNGYTBUJJSJTTL-NXVVXOECSA-N
MW241.34 g/mol
LogP2.86
Rot. Bonds

About 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine

2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine (PubChem CID 18992571) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine.

Molecular Properties

Compound Name2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
PubChem CID18992571
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
SMILES[H]/N=c1/c2cc(C)c(C)cc2nc2n1CCCCC2
InChIInChI=1S/C15H19N3/c1-10-8-12-13(9-11(10)2)17-14-6-4-3-5-7-18(14)15(12)16/h8-9,16H,3-7H2,1-2H3/b16-15-
InChIKeyHNGYTBUJJSJTTL-NXVVXOECSA-N
XLogP2.86
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine with MolForge

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Related Compounds

3-chloro-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
CID 18992372
1,2-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 18992349
2-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 18992694
6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 695586
3-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-12-thione
CID 18992239
4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
CID 18992578
6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
CID 175752504
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
N-[(4-methylphenyl)methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 9455432
3,4-dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 17390796

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine?
The IUPAC name of 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine (CID 18992571) is 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine.
What is the SMILES notation for 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine?
The canonical SMILES for 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine is [H]/N=c1/c2cc(C)c(C)cc2nc2n1CCCCC2.
What is the InChIKey of 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine?
The InChIKey is HNGYTBUJJSJTTL-NXVVXOECSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-8-12-13(9-11(10)2)17-14-6-4-3-5-7-18(14)15(12)16/h8-9,16H,3-7H2,1-2H3/b16-15-.
What are the key properties of 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine?
2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine has a molecular weight of 241.34 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine is sourced from PubChem (CID 18992571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).