methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate

C23H20N4O2 — CID 164556584

IUPACmethyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3ncnc(N[C@H](C)c4ccccc4)c3c2)c1
InChIInChI=1S/C23H20N4O2/c1-15(16-6-4-3-5-7-16)27-22-20-11-17(8-9-21(20)25-14-26-22)18-10-19(13-24-12-18)23(28)29-2/h3-15H,1-2H3,(H,25,26,27)/t15-/m1/s1
InChIKeyWNNQEKHRHDZPEU-OAHLLOKOSA-N
MW384.44 g/mol
LogP4.65
Rot. Bonds5

About methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate

methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate (PubChem CID 164556584) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate
PubChem CID164556584
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Namemethyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3ncnc(N[C@H](C)c4ccccc4)c3c2)c1
InChIInChI=1S/C23H20N4O2/c1-15(16-6-4-3-5-7-16)27-22-20-11-17(8-9-21(20)25-14-26-22)18-10-19(13-24-12-18)23(28)29-2/h3-15H,1-2H3,(H,25,26,27)/t15-/m1/s1
InChIKeyWNNQEKHRHDZPEU-OAHLLOKOSA-N
XLogP4.65
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate (CID 164556584) is methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc3ncnc(N[C@H](C)c4ccccc4)c3c2)c1.
What is the InChIKey of methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate?
The InChIKey is WNNQEKHRHDZPEU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15(16-6-4-3-5-7-16)27-22-20-11-17(8-9-21(20)25-14-26-22)18-10-19(13-24-12-18)23(28)29-2/h3-15H,1-2H3,(H,25,26,27)/t15-/m1/s1.
What are the key properties of methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate?
methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate is sourced from PubChem (CID 164556584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).