6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one

C24H19N5O2 — CID 21302372

IUPAC6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one
SMILESNC(c1cccc(O)c1)(c1ccc2[nH]c(=O)cc(-c3cccnc3)c2c1)c1cnc[nH]1
InChIInChI=1S/C24H19N5O2/c25-24(22-13-27-14-28-22,16-4-1-5-18(30)9-16)17-6-7-21-20(10-17)19(11-23(31)29-21)15-3-2-8-26-12-15/h1-14,30H,25H2,(H,27,28)(H,29,31)
InChIKeyAZVDPCYYSXHFKS-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.27
Rot. Bonds4

About 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one

6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one (PubChem CID 21302372) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one
PubChem CID21302372
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one
SMILESNC(c1cccc(O)c1)(c1ccc2[nH]c(=O)cc(-c3cccnc3)c2c1)c1cnc[nH]1
InChIInChI=1S/C24H19N5O2/c25-24(22-13-27-14-28-22,16-4-1-5-18(30)9-16)17-6-7-21-20(10-17)19(11-23(31)29-21)15-3-2-8-26-12-15/h1-14,30H,25H2,(H,27,28)(H,29,31)
InChIKeyAZVDPCYYSXHFKS-UHFFFAOYSA-N
XLogP3.27
TPSA120.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one?
The IUPAC name of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one (CID 21302372) is 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one?
The canonical SMILES for 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one is NC(c1cccc(O)c1)(c1ccc2[nH]c(=O)cc(-c3cccnc3)c2c1)c1cnc[nH]1.
What is the InChIKey of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one?
The InChIKey is AZVDPCYYSXHFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c25-24(22-13-27-14-28-22,16-4-1-5-18(30)9-16)17-6-7-21-20(10-17)19(11-23(31)29-21)15-3-2-8-26-12-15/h1-14,30H,25H2,(H,27,28)(H,29,31).
What are the key properties of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one?
6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one has a molecular weight of 409.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-4-pyridin-3-yl-1H-quinolin-2-one is sourced from PubChem (CID 21302372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).