4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide

C24H19N5O2 — CID 155526301

IUPAC4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(-c3cc(OCc4ccccc4)c4cn[nH]c4c3)cccc2c1N
InChIInChI=1S/C24H19N5O2/c25-22-17-8-4-7-16(23(17)27-11-19(22)24(26)30)15-9-20-18(12-28-29-20)21(10-15)31-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,25,27)(H2,26,30)(H,28,29)
InChIKeyFAUNADGXUNSQJJ-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.04
Rot. Bonds5

About 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide

4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide (PubChem CID 155526301) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide
PubChem CID155526301
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(-c3cc(OCc4ccccc4)c4cn[nH]c4c3)cccc2c1N
InChIInChI=1S/C24H19N5O2/c25-22-17-8-4-7-16(23(17)27-11-19(22)24(26)30)15-9-20-18(12-28-29-20)21(10-15)31-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,25,27)(H2,26,30)(H,28,29)
InChIKeyFAUNADGXUNSQJJ-UHFFFAOYSA-N
XLogP4.04
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide?
The IUPAC name of 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide (CID 155526301) is 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide is NC(=O)c1cnc2c(-c3cc(OCc4ccccc4)c4cn[nH]c4c3)cccc2c1N.
What is the InChIKey of 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide?
The InChIKey is FAUNADGXUNSQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c25-22-17-8-4-7-16(23(17)27-11-19(22)24(26)30)15-9-20-18(12-28-29-20)21(10-15)31-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,25,27)(H2,26,30)(H,28,29).
What are the key properties of 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide?
4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(4-phenylmethoxy-1H-indazol-6-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155526301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).