2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one

C19H16ClNO3 — CID 131753084

IUPAC2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
SMILESC=C(CCl)C1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1
InChIInChI=1S/C19H16ClNO3/c1-10(9-20)15-7-12-16(24-15)8-14(22)17-18(12)21(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,22H,1,7,9H2,2H3
InChIKeyWVAGDJQCWBNFRK-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.50
Rot. Bonds2

About 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one

2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one (PubChem CID 131753084) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one.

Molecular Properties

Compound Name2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
PubChem CID131753084
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
SMILESC=C(CCl)C1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1
InChIInChI=1S/C19H16ClNO3/c1-10(9-20)15-7-12-16(24-15)8-14(22)17-18(12)21(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,22H,1,7,9H2,2H3
InChIKeyWVAGDJQCWBNFRK-UHFFFAOYSA-N
XLogP3.50
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one with MolForge

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Related Compounds

5-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
CID 5281849
2-(1-chloro-2-hydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
CID 5486900
[(2S)-2-hydroxy-2-[(2S)-5-hydroxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-2-yl]propyl] acetate
CID 163009000
6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 5483895
5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 11163118
(2R)-11-methyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydrobenzo[a]carbazol-6-ol
CID 102073574
azane;1-hydroxy-3-methoxy-10-methylacridin-9-one
CID 87099944
1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one
CID 102480133
(2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
CID 638263
(6R)-10-methoxy-2-methyl-6-(2-methyloxiran-2-yl)-7-oxa-2-azapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(21),3,8,10,13,15,17,19-octaen-12-one
CID 90784395
5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
CID 628514
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one?
The IUPAC name of 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one (CID 131753084) is 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one.
What is the SMILES notation for 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one?
The canonical SMILES for 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one is C=C(CCl)C1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1.
What is the InChIKey of 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one?
The InChIKey is WVAGDJQCWBNFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-10(9-20)15-7-12-16(24-15)8-14(22)17-18(12)21(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,22H,1,7,9H2,2H3.
What are the key properties of 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one?
2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one has a molecular weight of 341.79 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-en-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one is sourced from PubChem (CID 131753084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).