methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate

C20H14FN5O2 — CID 71151496

IUPACmethyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate
SMILESCOC(=O)c1cccc2c(Nc3ccc(F)cn3)nc(-c3cccnc3)nc12
InChIInChI=1S/C20H14FN5O2/c1-28-20(27)15-6-2-5-14-17(15)25-18(12-4-3-9-22-10-12)26-19(14)24-16-8-7-13(21)11-23-16/h2-11H,1H3,(H,23,24,25,26)
InChIKeyJTGCPXHXXKFOOQ-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.76
Rot. Bonds4

About methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate

methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate (PubChem CID 71151496) has the molecular formula C20H14FN5O2 and a molecular weight of 375.36 g/mol. Its IUPAC name is methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate
PubChem CID71151496
Molecular FormulaC20H14FN5O2
Molecular Weight375.36 g/mol
Exact Mass375.11
IUPAC Namemethyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate
SMILESCOC(=O)c1cccc2c(Nc3ccc(F)cn3)nc(-c3cccnc3)nc12
InChIInChI=1S/C20H14FN5O2/c1-28-20(27)15-6-2-5-14-17(15)25-18(12-4-3-9-22-10-12)26-19(14)24-16-8-7-13(21)11-23-16/h2-11H,1H3,(H,23,24,25,26)
InChIKeyJTGCPXHXXKFOOQ-UHFFFAOYSA-N
XLogP3.76
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate?
The IUPAC name of methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate (CID 71151496) is methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate.
What is the SMILES notation for methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate?
The canonical SMILES for methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate is COC(=O)c1cccc2c(Nc3ccc(F)cn3)nc(-c3cccnc3)nc12.
What is the InChIKey of methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate?
The InChIKey is JTGCPXHXXKFOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2/c1-28-20(27)15-6-2-5-14-17(15)25-18(12-4-3-9-22-10-12)26-19(14)24-16-8-7-13(21)11-23-16/h2-11H,1H3,(H,23,24,25,26).
What are the key properties of methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate?
methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate has a molecular weight of 375.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylate is sourced from PubChem (CID 71151496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).