4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

C23H21N5O2 — CID 57401264

IUPAC4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCCc1ccccc1Nc1ncc2cc(Oc3ccnc(C(=O)NC)c3)ccc2n1
InChIInChI=1S/C23H21N5O2/c1-3-15-6-4-5-7-19(15)27-23-26-14-16-12-17(8-9-20(16)28-23)30-18-10-11-25-21(13-18)22(29)24-2/h4-14H,3H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyXCWVTLFOJIXVQK-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.48
Rot. Bonds6

About 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 57401264) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID57401264
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCCc1ccccc1Nc1ncc2cc(Oc3ccnc(C(=O)NC)c3)ccc2n1
InChIInChI=1S/C23H21N5O2/c1-3-15-6-4-5-7-19(15)27-23-26-14-16-12-17(8-9-20(16)28-23)30-18-10-11-25-21(13-18)22(29)24-2/h4-14H,3H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyXCWVTLFOJIXVQK-UHFFFAOYSA-N
XLogP4.48
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 57401264) is 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is CCc1ccccc1Nc1ncc2cc(Oc3ccnc(C(=O)NC)c3)ccc2n1.
What is the InChIKey of 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is XCWVTLFOJIXVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-3-15-6-4-5-7-19(15)27-23-26-14-16-12-17(8-9-20(16)28-23)30-18-10-11-25-21(13-18)22(29)24-2/h4-14H,3H2,1-2H3,(H,24,29)(H,26,27,28).
What are the key properties of 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 57401264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).