methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate

C16H14N4O2 — CID 659619

IUPACmethyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C16H14N4O2/c1-22-14(21)10-18-16-12-6-2-3-7-13(12)19-15(20-16)11-5-4-8-17-9-11/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyJUIJKMXQNHMKNA-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.28
Rot. Bonds4

About methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate

methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate (PubChem CID 659619) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate
PubChem CID659619
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Namemethyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C16H14N4O2/c1-22-14(21)10-18-16-12-6-2-3-7-13(12)19-15(20-16)11-5-4-8-17-9-11/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyJUIJKMXQNHMKNA-UHFFFAOYSA-N
XLogP2.28
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate (CID 659619) is methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate is COC(=O)CNc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate?
The InChIKey is JUIJKMXQNHMKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-14(21)10-18-16-12-6-2-3-7-13(12)19-15(20-16)11-5-4-8-17-9-11/h2-9H,10H2,1H3,(H,18,19,20).
What are the key properties of methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate?
methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate has a molecular weight of 294.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetate is sourced from PubChem (CID 659619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).