8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H19BrN2O4 — CID 166035175

IUPAC8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(Br)c2oc(N3CCC4(CC3)CN(C)C(=O)O4)cc(=O)c2c1
InChIInChI=1S/C18H19BrN2O4/c1-11-7-12-14(22)9-15(24-16(12)13(19)8-11)21-5-3-18(4-6-21)10-20(2)17(23)25-18/h7-9H,3-6,10H2,1-2H3
InChIKeyDPFQTCHAWJFSIC-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.28
Rot. Bonds1

About 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 166035175) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID166035175
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(Br)c2oc(N3CCC4(CC3)CN(C)C(=O)O4)cc(=O)c2c1
InChIInChI=1S/C18H19BrN2O4/c1-11-7-12-14(22)9-15(24-16(12)13(19)8-11)21-5-3-18(4-6-21)10-20(2)17(23)25-18/h7-9H,3-6,10H2,1-2H3
InChIKeyDPFQTCHAWJFSIC-UHFFFAOYSA-N
XLogP3.28
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 166035175) is 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cc(Br)c2oc(N3CCC4(CC3)CN(C)C(=O)O4)cc(=O)c2c1.
What is the InChIKey of 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DPFQTCHAWJFSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-11-7-12-14(22)9-15(24-16(12)13(19)8-11)21-5-3-18(4-6-21)10-20(2)17(23)25-18/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 407.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 166035175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).