6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one

C24H23NO4 — CID 16730767

IUPAC6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1ccc(C(=O)c2cn(CC3CC3)c3cc4c(cc3c2=O)OCCO4)cc1C
InChIInChI=1S/C24H23NO4/c1-14-3-6-17(9-15(14)2)23(26)19-13-25(12-16-4-5-16)20-11-22-21(28-7-8-29-22)10-18(20)24(19)27/h3,6,9-11,13,16H,4-5,7-8,12H2,1-2H3
InChIKeyQEVYSYXCXSWGML-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.03
Rot. Bonds4

About 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one

6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 16730767) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID16730767
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1ccc(C(=O)c2cn(CC3CC3)c3cc4c(cc3c2=O)OCCO4)cc1C
InChIInChI=1S/C24H23NO4/c1-14-3-6-17(9-15(14)2)23(26)19-13-25(12-16-4-5-16)20-11-22-21(28-7-8-29-22)10-18(20)24(19)27/h3,6,9-11,13,16H,4-5,7-8,12H2,1-2H3
InChIKeyQEVYSYXCXSWGML-UHFFFAOYSA-N
XLogP4.03
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (CID 16730767) is 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is Cc1ccc(C(=O)c2cn(CC3CC3)c3cc4c(cc3c2=O)OCCO4)cc1C.
What is the InChIKey of 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is QEVYSYXCXSWGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-14-3-6-17(9-15(14)2)23(26)19-13-25(12-16-4-5-16)20-11-22-21(28-7-8-29-22)10-18(20)24(19)27/h3,6,9-11,13,16H,4-5,7-8,12H2,1-2H3.
What are the key properties of 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 389.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 16730767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).