10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

C25H26N2O5 — CID 166680335

IUPAC10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
SMILESCOc1cc2c(cc1OCc1ccccc1)CN(C(C)C)n1cc(C(=O)O)c(=O)c(C)c1-2
InChIInChI=1S/C25H26N2O5/c1-15(2)26-12-18-10-22(32-14-17-8-6-5-7-9-17)21(31-4)11-19(18)23-16(3)24(28)20(25(29)30)13-27(23)26/h5-11,13,15H,12,14H2,1-4H3,(H,29,30)
InChIKeyDUIRLUKLCLIONP-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.97
Rot. Bonds6

About 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (PubChem CID 166680335) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.

Molecular Properties

Compound Name10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
PubChem CID166680335
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
SMILESCOc1cc2c(cc1OCc1ccccc1)CN(C(C)C)n1cc(C(=O)O)c(=O)c(C)c1-2
InChIInChI=1S/C25H26N2O5/c1-15(2)26-12-18-10-22(32-14-17-8-6-5-7-9-17)21(31-4)11-19(18)23-16(3)24(28)20(25(29)30)13-27(23)26/h5-11,13,15H,12,14H2,1-4H3,(H,29,30)
InChIKeyDUIRLUKLCLIONP-UHFFFAOYSA-N
XLogP3.97
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid with MolForge

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Related Compounds

2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
CID 146515253
6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 156760249
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
ethyl 10-methoxy-6,6-dimethyl-2-oxo-9-phenylmethoxy-7H-benzo[a]quinolizine-3-carboxylate
CID 135313905
10-methoxy-9-(3-methoxypropoxy)-6-(2-methylpropyl)-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 126510080
ethyl 6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 134869084
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
2-(dimethylaminomethylideneamino)-4-methoxy-5-phenylmethoxybenzoic acid
CID 155235881
ethyl 9-methoxy-3,3-dimethyl-14-oxo-8-phenylmethoxy-1,2-diazatetracyclo[10.4.0.02,5.06,11]hexadeca-6,8,10,12,15-pentaene-15-carboxylate
CID 142409318
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 15296734

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The IUPAC name of 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid (CID 166680335) is 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid.
What is the SMILES notation for 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The canonical SMILES for 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is COc1cc2c(cc1OCc1ccccc1)CN(C(C)C)n1cc(C(=O)O)c(=O)c(C)c1-2.
What is the InChIKey of 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
The InChIKey is DUIRLUKLCLIONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-15(2)26-12-18-10-22(32-14-17-8-6-5-7-9-17)21(31-4)11-19(18)23-16(3)24(28)20(25(29)30)13-27(23)26/h5-11,13,15H,12,14H2,1-4H3,(H,29,30).
What are the key properties of 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid?
10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid has a molecular weight of 434.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid is sourced from PubChem (CID 166680335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).