6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine

C43H32N10O — CID 71268412

IUPAC6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine
SMILESCOc1ccc(-c2cn3cc(-c4ccc5nc(N)ncc5c4)ccc3n2)cc1.Nc1ncc2cc(-c3ccc4nc(-c5ccccc5)cn4c3)ccc2n1
InChIInChI=1S/C22H17N5O.C21H15N5/c1-28-18-6-2-14(3-7-18)20-13-27-12-16(5-9-21(27)25-20)15-4-8-19-17(10-15)11-24-22(23)26-19;22-21-23-11-17-10-15(6-8-18(17)25-21)16-7-9-20-24-19(13-26(20)12-16)14-4-2-1-3-5-14/h2-13H,1H3,(H2,23,24,26);1-13H,(H2,22,23,25)
InChIKeyPUGIMBUDKGQRTF-UHFFFAOYSA-N
MW704.80 g/mol
LogP8.40
Rot. Bonds5

About 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine

6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine (PubChem CID 71268412) has the molecular formula C43H32N10O and a molecular weight of 704.80 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine
PubChem CID71268412
Molecular FormulaC43H32N10O
Molecular Weight704.80 g/mol
Exact Mass704.28
IUPAC Name6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine
SMILESCOc1ccc(-c2cn3cc(-c4ccc5nc(N)ncc5c4)ccc3n2)cc1.Nc1ncc2cc(-c3ccc4nc(-c5ccccc5)cn4c3)ccc2n1
InChIInChI=1S/C22H17N5O.C21H15N5/c1-28-18-6-2-14(3-7-18)20-13-27-12-16(5-9-21(27)25-20)15-4-8-19-17(10-15)11-24-22(23)26-19;22-21-23-11-17-10-15(6-8-18(17)25-21)16-7-9-20-24-19(13-26(20)12-16)14-4-2-1-3-5-14/h2-13H,1H3,(H2,23,24,26);1-13H,(H2,22,23,25)
InChIKeyPUGIMBUDKGQRTF-UHFFFAOYSA-N
XLogP8.40
TPSA147.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.80
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine?
The IUPAC name of 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine (CID 71268412) is 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine?
The canonical SMILES for 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine is COc1ccc(-c2cn3cc(-c4ccc5nc(N)ncc5c4)ccc3n2)cc1.Nc1ncc2cc(-c3ccc4nc(-c5ccccc5)cn4c3)ccc2n1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine?
The InChIKey is PUGIMBUDKGQRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O.C21H15N5/c1-28-18-6-2-14(3-7-18)20-13-27-12-16(5-9-21(27)25-20)15-4-8-19-17(10-15)11-24-22(23)26-19;22-21-23-11-17-10-15(6-8-18(17)25-21)16-7-9-20-24-19(13-26(20)12-16)14-4-2-1-3-5-14/h2-13H,1H3,(H2,23,24,26);1-13H,(H2,22,23,25).
What are the key properties of 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine?
6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine has a molecular weight of 704.80 g/mol, XLogP of 8.40, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]quinazolin-2-amine;6-(2-phenylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine is sourced from PubChem (CID 71268412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).