2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide

C21H18N6O2 — CID 71180705

IUPAC2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide
SMILESCCOc1ccc2nc(-c3cncnc3)nc(Nc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C21H18N6O2/c1-2-29-14-7-8-18-16(9-14)21(26-17-6-4-3-5-15(17)19(22)28)27-20(25-18)13-10-23-12-24-11-13/h3-12H,2H2,1H3,(H2,22,28)(H,25,26,27)
InChIKeyHUQJEAJRFXIXEQ-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.33
Rot. Bonds6

About 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide

2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide (PubChem CID 71180705) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide
PubChem CID71180705
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide
SMILESCCOc1ccc2nc(-c3cncnc3)nc(Nc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C21H18N6O2/c1-2-29-14-7-8-18-16(9-14)21(26-17-6-4-3-5-15(17)19(22)28)27-20(25-18)13-10-23-12-24-11-13/h3-12H,2H2,1H3,(H2,22,28)(H,25,26,27)
InChIKeyHUQJEAJRFXIXEQ-UHFFFAOYSA-N
XLogP3.33
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
CID 53303494
3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide
CID 71181121
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180546
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71181238
2-chloro-N-methylacetamide;2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 159635907
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 89348118
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
CID 89347943

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide (CID 71180705) is 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide is CCOc1ccc2nc(-c3cncnc3)nc(Nc3ccccc3C(N)=O)c2c1.
What is the InChIKey of 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is HUQJEAJRFXIXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-2-29-14-7-8-18-16(9-14)21(26-17-6-4-3-5-15(17)19(22)28)27-20(25-18)13-10-23-12-24-11-13/h3-12H,2H2,1H3,(H2,22,28)(H,25,26,27).
What are the key properties of 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide?
2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 386.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 71180705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).