N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

C28H23N5O2 — CID 59254883

IUPACN-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cc(-c5ccccc5)ccc4C)ncc3c2)ccn1
InChIInChI=1S/C28H23N5O2/c1-18-8-9-20(19-6-4-3-5-7-19)15-25(18)33-28-31-17-21-14-22(10-11-24(21)32-28)35-23-12-13-30-26(16-23)27(34)29-2/h3-17H,1-2H3,(H,29,34)(H,31,32,33)
InChIKeyGTYYHDFCIOVBKM-UHFFFAOYSA-N
MW461.53 g/mol
LogP5.90
Rot. Bonds6

About N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (PubChem CID 59254883) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
PubChem CID59254883
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC NameN-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cc(-c5ccccc5)ccc4C)ncc3c2)ccn1
InChIInChI=1S/C28H23N5O2/c1-18-8-9-20(19-6-4-3-5-7-19)15-25(18)33-28-31-17-21-14-22(10-11-24(21)32-28)35-23-12-13-30-26(16-23)27(34)29-2/h3-17H,1-2H3,(H,29,34)(H,31,32,33)
InChIKeyGTYYHDFCIOVBKM-UHFFFAOYSA-N
XLogP5.90
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (CID 59254883) is N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4cc(-c5ccccc5)ccc4C)ncc3c2)ccn1.
What is the InChIKey of N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The InChIKey is GTYYHDFCIOVBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-18-8-9-20(19-6-4-3-5-7-19)15-25(18)33-28-31-17-21-14-22(10-11-24(21)32-28)35-23-12-13-30-26(16-23)27(34)29-2/h3-17H,1-2H3,(H,29,34)(H,31,32,33).
What are the key properties of N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 59254883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).