7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one

C17H22BrN3O — CID 123988145

IUPAC7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one
SMILESC=C1N=C(N)C(CC)Cc2c1cc(Br)c(=O)n2C1CCCC1
InChIInChI=1S/C17H22BrN3O/c1-3-11-8-15-13(10(2)20-16(11)19)9-14(18)17(22)21(15)12-6-4-5-7-12/h9,11-12H,2-8H2,1H3,(H2,19,20)
InChIKeyRPNHVBCNNPKCHD-UHFFFAOYSA-N
MW364.29 g/mol
LogP3.64
Rot. Bonds2

About 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one

7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one (PubChem CID 123988145) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one.

Molecular Properties

Compound Name7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one
PubChem CID123988145
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC Name7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one
SMILESC=C1N=C(N)C(CC)Cc2c1cc(Br)c(=O)n2C1CCCC1
InChIInChI=1S/C17H22BrN3O/c1-3-11-8-15-13(10(2)20-16(11)19)9-14(18)17(22)21(15)12-6-4-5-7-12/h9,11-12H,2-8H2,1H3,(H2,19,20)
InChIKeyRPNHVBCNNPKCHD-UHFFFAOYSA-N
XLogP3.64
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Ethyl-7-ethylimino-3-methyl-5-methylidene-1-propan-2-yl-8,9-dihydropyrido[3,2-c]azepin-2-one
CID 137127233

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one?
The IUPAC name of 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one (CID 123988145) is 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one.
What is the SMILES notation for 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one?
The canonical SMILES for 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one is C=C1N=C(N)C(CC)Cc2c1cc(Br)c(=O)n2C1CCCC1.
What is the InChIKey of 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one?
The InChIKey is RPNHVBCNNPKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O/c1-3-11-8-15-13(10(2)20-16(11)19)9-14(18)17(22)21(15)12-6-4-5-7-12/h9,11-12H,2-8H2,1H3,(H2,19,20).
What are the key properties of 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one?
7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one has a molecular weight of 364.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-bromo-1-cyclopentyl-8-ethyl-5-methylidene-8,9-dihydropyrido[3,2-c]azepin-2-one is sourced from PubChem (CID 123988145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).