2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid

C21H21NO5 — CID 102146169

IUPAC2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid
SMILESCC1(C)CC(=O)C2=C(C1)N(CC(=O)O)C1=C(C(=O)OC1)C2c1ccccc1
InChIInChI=1S/C21H21NO5/c1-21(2)8-13-18(15(23)9-21)17(12-6-4-3-5-7-12)19-14(11-27-20(19)26)22(13)10-16(24)25/h3-7,17H,8-11H2,1-2H3,(H,24,25)
InChIKeyOJKXGVLURSBKMF-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.62
Rot. Bonds3

About 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid

2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid (PubChem CID 102146169) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid
PubChem CID102146169
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid
SMILESCC1(C)CC(=O)C2=C(C1)N(CC(=O)O)C1=C(C(=O)OC1)C2c1ccccc1
InChIInChI=1S/C21H21NO5/c1-21(2)8-13-18(15(23)9-21)17(12-6-4-3-5-7-12)19-14(11-27-20(19)26)22(13)10-16(24)25/h3-7,17H,8-11H2,1-2H3,(H,24,25)
InChIKeyOJKXGVLURSBKMF-UHFFFAOYSA-N
XLogP2.62
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid with MolForge

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Related Compounds

sodium 2-[9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 54600499
2-[9-(3-ethoxy-4-phenylmethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 4764369
2-[3,3,6,6-tetramethyl-9-[3-(4-methylphenyl)sulfonyloxyphenyl]-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 126074317
2-methyl-8-phenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 21018872
2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126070216
2-[9-[4-(carboxymethoxy)-3-ethoxyphenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 39366603
3-[3,3,6,6-tetramethyl-1,8-dioxo-9-(4-phenylmethoxyphenyl)-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
CID 126081893
2-[9-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 4771972
2-[9-[3-(2,4-dinitrophenoxy)phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 126091465
9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1072592
10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 5101871
2-[3-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126075051

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid?
The IUPAC name of 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid (CID 102146169) is 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid is CC1(C)CC(=O)C2=C(C1)N(CC(=O)O)C1=C(C(=O)OC1)C2c1ccccc1.
What is the InChIKey of 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid?
The InChIKey is OJKXGVLURSBKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-21(2)8-13-18(15(23)9-21)17(12-6-4-3-5-7-12)19-14(11-27-20(19)26)22(13)10-16(24)25/h3-7,17H,8-11H2,1-2H3,(H,24,25).
What are the key properties of 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid?
2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid has a molecular weight of 367.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-1,8-dioxo-9-phenyl-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl)acetic acid is sourced from PubChem (CID 102146169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).