6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine

C22H26N4O2 — CID 97272016

IUPAC6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC[C@](C)(c4ccccc4)C3)nc(N)c2cc1OC
InChIInChI=1S/C22H26N4O2/c1-22(15-8-5-4-6-9-15)10-7-11-26(14-22)21-24-17-13-19(28-3)18(27-2)12-16(17)20(23)25-21/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H2,23,24,25)/t22-/m0/s1
InChIKeyWDFOLLKAVKQOFU-QFIPXVFZSA-N
MW378.48 g/mol
LogP3.79
Rot. Bonds4

About 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine

6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine (PubChem CID 97272016) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine
PubChem CID97272016
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC[C@](C)(c4ccccc4)C3)nc(N)c2cc1OC
InChIInChI=1S/C22H26N4O2/c1-22(15-8-5-4-6-9-15)10-7-11-26(14-22)21-24-17-13-19(28-3)18(27-2)12-16(17)20(23)25-21/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H2,23,24,25)/t22-/m0/s1
InChIKeyWDFOLLKAVKQOFU-QFIPXVFZSA-N
XLogP3.79
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine (CID 97272016) is 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine is COc1cc2nc(N3CCC[C@](C)(c4ccccc4)C3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine?
The InChIKey is WDFOLLKAVKQOFU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(15-8-5-4-6-9-15)10-7-11-26(14-22)21-24-17-13-19(28-3)18(27-2)12-16(17)20(23)25-21/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H2,23,24,25)/t22-/m0/s1.
What are the key properties of 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine?
6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 97272016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).