1H-indazole;quinazoline;quinoline-4-carboxylic acid

C25H19N5O2 — CID 70284288

IUPAC1H-indazole;quinazoline;quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccccc12.c1ccc2[nH]ncc2c1.c1ccc2ncncc2c1
InChIInChI=1S/C10H7NO2.C8H6N2.C7H6N2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)5-8-9-7/h1-6H,(H,12,13);1-6H;1-5H,(H,8,9)
InChIKeySVYNDNKHXTUPNT-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.13
Rot. Bonds1

About 1H-indazole;quinazoline;quinoline-4-carboxylic acid

1H-indazole;quinazoline;quinoline-4-carboxylic acid (PubChem CID 70284288) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 1H-indazole;quinazoline;quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1H-indazole;quinazoline;quinoline-4-carboxylic acid
PubChem CID70284288
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name1H-indazole;quinazoline;quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccccc12.c1ccc2[nH]ncc2c1.c1ccc2ncncc2c1
InChIInChI=1S/C10H7NO2.C8H6N2.C7H6N2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)5-8-9-7/h1-6H,(H,12,13);1-6H;1-5H,(H,8,9)
InChIKeySVYNDNKHXTUPNT-UHFFFAOYSA-N
XLogP5.13
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indazole;quinoline
CID 67837536
N-(1H-indazol-6-yl)quinoline-4-carboxamide
CID 110694915
phenanthrene;quinazoline
CID 175352249
carbonyl dichloride;1H-indazole
CID 158934789
pyridine;quinazoline;hydrofluoride
CID 159567796
quinazoline;sulfuric acid
CID 68666384
2-hydroxypropanoic acid;quinazoline
CID 157213189
sodium;bis(1H-indazole);ruthenium(3+);tetrachloride
CID 10481153
1H-indazole;ruthenium(3+)
CID 158942897
1H-indazole;pyrido[3,4-d]pyrimidin-4-amine
CID 173270330
1H-pyrazole;quinazoline
CID 157207291
4-(1H-indazol-5-yl)quinoline
CID 139407455

Frequently Asked Questions

What is the IUPAC name of 1H-indazole;quinazoline;quinoline-4-carboxylic acid?
The IUPAC name of 1H-indazole;quinazoline;quinoline-4-carboxylic acid (CID 70284288) is 1H-indazole;quinazoline;quinoline-4-carboxylic acid.
What is the SMILES notation for 1H-indazole;quinazoline;quinoline-4-carboxylic acid?
The canonical SMILES for 1H-indazole;quinazoline;quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccccc12.c1ccc2[nH]ncc2c1.c1ccc2ncncc2c1.
What is the InChIKey of 1H-indazole;quinazoline;quinoline-4-carboxylic acid?
The InChIKey is SVYNDNKHXTUPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C8H6N2.C7H6N2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)5-8-9-7/h1-6H,(H,12,13);1-6H;1-5H,(H,8,9).
What are the key properties of 1H-indazole;quinazoline;quinoline-4-carboxylic acid?
1H-indazole;quinazoline;quinoline-4-carboxylic acid has a molecular weight of 421.46 g/mol, XLogP of 5.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;quinazoline;quinoline-4-carboxylic acid is sourced from PubChem (CID 70284288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).