7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid

C27H35N3O7 — CID 56664951

IUPAC7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid
SMILESCOc1ccccc1N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1.O=C(O)C(=O)O
InChIInChI=1S/C25H33N3O3.C2H2O4/c1-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-2-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21;3-1(4)2(5)6/h3-4,7-9,11,19H,2,5-6,10,12-18H2,1H3,(H,26,29);(H,3,4)(H,5,6)
InChIKeyBSQSMXVIPTXAJP-UHFFFAOYSA-N
MW513.59 g/mol
LogP3.11
Rot. Bonds9

About 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid

7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid (PubChem CID 56664951) has the molecular formula C27H35N3O7 and a molecular weight of 513.59 g/mol. Its IUPAC name is 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid.

Molecular Properties

Compound Name7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid
PubChem CID56664951
Molecular FormulaC27H35N3O7
Molecular Weight513.59 g/mol
Exact Mass513.25
IUPAC Name7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid
SMILESCOc1ccccc1N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1.O=C(O)C(=O)O
InChIInChI=1S/C25H33N3O3.C2H2O4/c1-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-2-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21;3-1(4)2(5)6/h3-4,7-9,11,19H,2,5-6,10,12-18H2,1H3,(H,26,29);(H,3,4)(H,5,6)
InChIKeyBSQSMXVIPTXAJP-UHFFFAOYSA-N
XLogP3.11
TPSA128.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid?
The IUPAC name of 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid (CID 56664951) is 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid.
What is the SMILES notation for 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid?
The canonical SMILES for 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid is COc1ccccc1N1CCN(CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1.O=C(O)C(=O)O.
What is the InChIKey of 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid?
The InChIKey is BSQSMXVIPTXAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3.C2H2O4/c1-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-2-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21;3-1(4)2(5)6/h3-4,7-9,11,19H,2,5-6,10,12-18H2,1H3,(H,26,29);(H,3,4)(H,5,6).
What are the key properties of 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid?
7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid has a molecular weight of 513.59 g/mol, XLogP of 3.11, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid is sourced from PubChem (CID 56664951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).