ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate

C17H16N4O2 — CID 661790

IUPACethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C17H16N4O2/c1-2-23-15(22)11-19-17-13-5-3-4-6-14(13)20-16(21-17)12-7-9-18-10-8-12/h3-10H,2,11H2,1H3,(H,19,20,21)
InChIKeyJZNBCNPAYLDYQD-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.67
Rot. Bonds5

About ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate

ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate (PubChem CID 661790) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate
PubChem CID661790
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Nameethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C17H16N4O2/c1-2-23-15(22)11-19-17-13-5-3-4-6-14(13)20-16(21-17)12-7-9-18-10-8-12/h3-10H,2,11H2,1H3,(H,19,20,21)
InChIKeyJZNBCNPAYLDYQD-UHFFFAOYSA-N
XLogP2.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate (CID 661790) is ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate is CCOC(=O)CNc1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate?
The InChIKey is JZNBCNPAYLDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-23-15(22)11-19-17-13-5-3-4-6-14(13)20-16(21-17)12-7-9-18-10-8-12/h3-10H,2,11H2,1H3,(H,19,20,21).
What are the key properties of ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate?
ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate has a molecular weight of 308.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-pyridin-4-ylquinazolin-4-yl)amino]acetate is sourced from PubChem (CID 661790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).