2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

C26H24N6O3 — CID 71180546

IUPAC2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCC(=O)N3CCCC3)cc12
InChIInChI=1S/C26H24N6O3/c27-24(34)19-7-1-2-8-21(19)30-26-20-14-18(35-16-23(33)32-12-3-4-13-32)9-10-22(20)29-25(31-26)17-6-5-11-28-15-17/h1-2,5-11,14-15H,3-4,12-13,16H2,(H2,27,34)(H,29,30,31)
InChIKeyCACZPFAZVBNVSN-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.54
Rot. Bonds7

About 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (PubChem CID 71180546) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
PubChem CID71180546
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCC(=O)N3CCCC3)cc12
InChIInChI=1S/C26H24N6O3/c27-24(34)19-7-1-2-8-21(19)30-26-20-14-18(35-16-23(33)32-12-3-4-13-32)9-10-22(20)29-25(31-26)17-6-5-11-28-15-17/h1-2,5-11,14-15H,3-4,12-13,16H2,(H2,27,34)(H,29,30,31)
InChIKeyCACZPFAZVBNVSN-UHFFFAOYSA-N
XLogP3.54
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide with MolForge

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Related Compounds

2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
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-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71181238
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide
CID 71180705
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
CID 89347943
2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide
CID 135127900
3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide
CID 71181121
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
CID 71180912

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The IUPAC name of 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (CID 71180546) is 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCC(=O)N3CCCC3)cc12.
What is the InChIKey of 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The InChIKey is CACZPFAZVBNVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c27-24(34)19-7-1-2-8-21(19)30-26-20-14-18(35-16-23(33)32-12-3-4-13-32)9-10-22(20)29-25(31-26)17-6-5-11-28-15-17/h1-2,5-11,14-15H,3-4,12-13,16H2,(H2,27,34)(H,29,30,31).
What are the key properties of 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide has a molecular weight of 468.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 71180546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).