(7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one

C26H22BrNO3 — CID 7231058

IUPAC(7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1cc2c(cc1Br)OCO2
InChIInChI=1S/C26H22BrNO3/c1-26(2)11-19-24(20(29)12-26)23(17-9-21-22(10-18(17)27)31-13-30-21)16-8-7-14-5-3-4-6-15(14)25(16)28-19/h3-10,23,28H,11-13H2,1-2H3/t23-/m0/s1
InChIKeyRQNIRWSTBJTSCI-QHCPKHFHSA-N
MW476.37 g/mol
LogP6.53
Rot. Bonds1

About (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one

(7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one (PubChem CID 7231058) has the molecular formula C26H22BrNO3 and a molecular weight of 476.37 g/mol. Its IUPAC name is (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one.

Molecular Properties

Compound Name(7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
PubChem CID7231058
Molecular FormulaC26H22BrNO3
Molecular Weight476.37 g/mol
Exact Mass475.08
IUPAC Name(7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1cc2c(cc1Br)OCO2
InChIInChI=1S/C26H22BrNO3/c1-26(2)11-19-24(20(29)12-26)23(17-9-21-22(10-18(17)27)31-13-30-21)16-8-7-14-5-3-4-6-15(14)25(16)28-19/h3-10,23,28H,11-13H2,1-2H3/t23-/m0/s1
InChIKeyRQNIRWSTBJTSCI-QHCPKHFHSA-N
XLogP6.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.37
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one with MolForge

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Related Compounds

7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 42597035
(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 40523336
7-(4-aminophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 14171492
7-(4-methoxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 4261678
benzyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1103056
(10R)-10-(2,3-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydro-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879553
(10S)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydro-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 42549341
(4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 996866
9-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 126045168
(12R)-9,9-dimethyl-12-naphthalen-1-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 7231056
2-[2-[(10S)-7,7-dimethyl-9-oxo-5,6,8,10-tetrahydro-[1,3]dioxolo[4,5-b]acridin-10-yl]phenoxy]acetic acid
CID 27879609
cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 981209

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The IUPAC name of (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one (CID 7231058) is (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one.
What is the SMILES notation for (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The canonical SMILES for (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one is CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1cc2c(cc1Br)OCO2.
What is the InChIKey of (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The InChIKey is RQNIRWSTBJTSCI-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H22BrNO3/c1-26(2)11-19-24(20(29)12-26)23(17-9-21-22(10-18(17)27)31-13-30-21)16-8-7-14-5-3-4-6-15(14)25(16)28-19/h3-10,23,28H,11-13H2,1-2H3/t23-/m0/s1.
What are the key properties of (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
(7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one has a molecular weight of 476.37 g/mol, XLogP of 6.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one is sourced from PubChem (CID 7231058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).