4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

C17H20N2O — CID 51584750

IUPAC4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1cc2cc3c(nc2cc1C)OCCN(C1CC1)C3
InChIInChI=1S/C17H20N2O/c1-11-7-13-9-14-10-19(15-3-4-15)5-6-20-17(14)18-16(13)8-12(11)2/h7-9,15H,3-6,10H2,1-2H3
InChIKeyAMFKDJHCRWWLTL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.21
Rot. Bonds1

About 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 51584750) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID51584750
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1cc2cc3c(nc2cc1C)OCCN(C1CC1)C3
InChIInChI=1S/C17H20N2O/c1-11-7-13-9-14-10-19(15-3-4-15)5-6-20-17(14)18-16(13)8-12(11)2/h7-9,15H,3-6,10H2,1-2H3
InChIKeyAMFKDJHCRWWLTL-UHFFFAOYSA-N
XLogP3.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 51584750) is 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is Cc1cc2cc3c(nc2cc1C)OCCN(C1CC1)C3.
What is the InChIKey of 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is AMFKDJHCRWWLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-7-13-9-14-10-19(15-3-4-15)5-6-20-17(14)18-16(13)8-12(11)2/h7-9,15H,3-6,10H2,1-2H3.
What are the key properties of 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 268.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 51584750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).