methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate

C20H20N4O2 — CID 133460115

IUPACmethyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2ncnc3c(C)cccc23)nc1C1CC1
InChIInChI=1S/C20H20N4O2/c1-12-4-3-5-15-17(12)22-11-23-19(15)21-10-14-8-9-16(20(25)26-2)18(24-14)13-6-7-13/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H,21,22,23)
InChIKeyIAIKBZZUUOBZJG-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.61
Rot. Bonds5

About methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate

methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate (PubChem CID 133460115) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate
PubChem CID133460115
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namemethyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2ncnc3c(C)cccc23)nc1C1CC1
InChIInChI=1S/C20H20N4O2/c1-12-4-3-5-15-17(12)22-11-23-19(15)21-10-14-8-9-16(20(25)26-2)18(24-14)13-6-7-13/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H,21,22,23)
InChIKeyIAIKBZZUUOBZJG-UHFFFAOYSA-N
XLogP3.61
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate (CID 133460115) is methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNc2ncnc3c(C)cccc23)nc1C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is IAIKBZZUUOBZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-4-3-5-15-17(12)22-11-23-19(15)21-10-14-8-9-16(20(25)26-2)18(24-14)13-6-7-13/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H,21,22,23).
What are the key properties of methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate?
methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 348.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 133460115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).