CID 69200440

C15H17LiNO4 — CID 69200440

IUPAC—
SMILESCCOc1cc2c(C(C)C(=O)O)cncc2cc1OC.[Li]
InChIInChI=1S/C15H17NO4.Li/c1-4-20-14-6-11-10(5-13(14)19-3)7-16-8-12(11)9(2)15(17)18;/h5-9H,4H2,1-3H3,(H,17,18);
InChIKeyHFFPTKVBWSSBHA-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.45
Rot. Bonds5

About CID 69200440

CID 69200440 (PubChem CID 69200440) has the molecular formula C15H17LiNO4 and a molecular weight of 282.25 g/mol.

Molecular Properties

Compound NameCID 69200440
PubChem CID69200440
Molecular FormulaC15H17LiNO4
Molecular Weight282.25 g/mol
Exact Mass282.13
IUPAC Name—
SMILESCCOc1cc2c(C(C)C(=O)O)cncc2cc1OC.[Li]
InChIInChI=1S/C15H17NO4.Li/c1-4-20-14-6-11-10(5-13(14)19-3)7-16-8-12(11)9(2)15(17)18;/h5-9H,4H2,1-3H3,(H,17,18);
InChIKeyHFFPTKVBWSSBHA-UHFFFAOYSA-N
XLogP2.45
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 69200440 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
2-[1-[(2-methoxyphenyl)methyl]isoquinolin-4-yl]propanoic acid
CID 67425908
2-ethoxy-3,8,9-trimethoxybenzo[c]phenanthridine
CID 10992106
6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane
CID 159414257
2-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]propanoic acid
CID 66534018
2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43753940
3-(1-carboxyethyl)-4,5-dimethoxybenzoic acid
CID 117388426
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 84752900
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
2-amino-7-ethoxy-6-methoxyquinoline-3-carboxamide
CID 124804844

Frequently Asked Questions

What is the IUPAC name of CID 69200440?
The IUPAC name of CID 69200440 (CID 69200440) is not available.
What is the SMILES notation for CID 69200440?
The canonical SMILES for CID 69200440 is CCOc1cc2c(C(C)C(=O)O)cncc2cc1OC.[Li].
What is the InChIKey of CID 69200440?
The InChIKey is HFFPTKVBWSSBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4.Li/c1-4-20-14-6-11-10(5-13(14)19-3)7-16-8-12(11)9(2)15(17)18;/h5-9H,4H2,1-3H3,(H,17,18);.
What are the key properties of CID 69200440?
CID 69200440 has a molecular weight of 282.25 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69200440 is sourced from PubChem (CID 69200440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).