4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate

C22H23NO4 — CID 118188364

IUPAC4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCc1cc(O)c2c(=O)c3cccc(C)c3[nH]c2c1
InChIInChI=1S/C22H23NO4/c1-13(2)22(26)27-10-5-4-8-15-11-17-19(18(24)12-15)21(25)16-9-6-7-14(3)20(16)23-17/h6-7,9,11-12,24H,1,4-5,8,10H2,2-3H3,(H,23,25)
InChIKeySBCDUMBOZPCABB-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.14
Rot. Bonds6

About 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate

4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate (PubChem CID 118188364) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate
PubChem CID118188364
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCc1cc(O)c2c(=O)c3cccc(C)c3[nH]c2c1
InChIInChI=1S/C22H23NO4/c1-13(2)22(26)27-10-5-4-8-15-11-17-19(18(24)12-15)21(25)16-9-6-7-14(3)20(16)23-17/h6-7,9,11-12,24H,1,4-5,8,10H2,2-3H3,(H,23,25)
InChIKeySBCDUMBOZPCABB-UHFFFAOYSA-N
XLogP4.14
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-(3,4,5-trihydroxyphenyl)decyl 2-methylprop-2-enoate
CID 177344521
8-(3,4-dihydroxyphenyl)octyl 2-methylprop-2-enoate
CID 177344511
4-(3,4-dihydroxyphenyl)butyl 2-methylprop-2-enoate
CID 167431322
4-(3-methylphenyl)butyl 2-methylprop-2-enoate
CID 174548240
(5-chloro-1-hydroxy-9-oxo-10H-acridin-3-yl) 2-methylprop-2-enoate
CID 90051507
10-(2-methylprop-2-enoyloxy)decyl 17-(3,4,5-trihydroxyphenyl)heptadecanoate
CID 162392811
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
3-(3-chlorophenyl)propyl 2-methylprop-2-enoate
CID 163407359
4-pyridin-4-ylbutyl 2-methylprop-2-enoate
CID 139844492
4-[5-(2-methylprop-2-enoyloxy)pentyl]benzoic acid
CID 155394997
3-chloro-4-hydroxy-2-[6-(2-methylprop-2-enoyloxy)hexyl]benzoic acid
CID 19359286

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate?
The IUPAC name of 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate (CID 118188364) is 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCc1cc(O)c2c(=O)c3cccc(C)c3[nH]c2c1.
What is the InChIKey of 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate?
The InChIKey is SBCDUMBOZPCABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13(2)22(26)27-10-5-4-8-15-11-17-19(18(24)12-15)21(25)16-9-6-7-14(3)20(16)23-17/h6-7,9,11-12,24H,1,4-5,8,10H2,2-3H3,(H,23,25).
What are the key properties of 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate?
4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate has a molecular weight of 365.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-5-methyl-9-oxo-10H-acridin-3-yl)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 118188364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).