3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid

C24H17N3O4 — CID 141171288

IUPAC3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1oc2cnccc2c1Nc1ccc2c(OCc3ccccc3)cncc2c1
InChIInChI=1S/C24H17N3O4/c28-24(29)23-22(19-8-9-25-13-21(19)31-23)27-17-6-7-18-16(10-17)11-26-12-20(18)30-14-15-4-2-1-3-5-15/h1-13,27H,14H2,(H,28,29)
InChIKeyWCSJXPKGPRGHGZ-UHFFFAOYSA-N
MW411.42 g/mol
LogP5.40
Rot. Bonds6

About 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid

3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid (PubChem CID 141171288) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid
PubChem CID141171288
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1oc2cnccc2c1Nc1ccc2c(OCc3ccccc3)cncc2c1
InChIInChI=1S/C24H17N3O4/c28-24(29)23-22(19-8-9-25-13-21(19)31-23)27-17-6-7-18-16(10-17)11-26-12-20(18)30-14-15-4-2-1-3-5-15/h1-13,27H,14H2,(H,28,29)
InChIKeyWCSJXPKGPRGHGZ-UHFFFAOYSA-N
XLogP5.40
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid with MolForge

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Related Compounds

ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 69191709
ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane
CID 143422123
3-(isoquinolin-5-yloxymethyl)benzoic acid
CID 12902801
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864
ethyl 3-(naphthalen-1-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 58826947
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
4-[[4-(4-fluoro-2-phenylmethoxyphenyl)pyrimidin-2-yl]amino]benzoic acid
CID 171348183
3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide
CID 53320630
3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-(pyrimidin-2-ylmethyl)furo[2,3-c]pyridine-2-carboxamide
CID 91137476
2-(4,5-dihydro-1H-imidazol-2-yl)-N-naphthalen-2-ylfuro[2,3-c]pyridin-3-amine
CID 69178562
ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 90807936
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid (CID 141171288) is 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1oc2cnccc2c1Nc1ccc2c(OCc3ccccc3)cncc2c1.
What is the InChIKey of 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is WCSJXPKGPRGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c28-24(29)23-22(19-8-9-25-13-21(19)31-23)27-17-6-7-18-16(10-17)11-26-12-20(18)30-14-15-4-2-1-3-5-15/h1-13,27H,14H2,(H,28,29).
What are the key properties of 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid?
3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 411.42 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 141171288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).