1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine

C24H30N4O2 — CID 66744749

IUPAC1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine
SMILESCOc1cc(OC)c2cnc(-c3ccc(N4CCC(NC(C)C)CC4)cc3)nc2c1
InChIInChI=1S/C24H30N4O2/c1-16(2)26-18-9-11-28(12-10-18)19-7-5-17(6-8-19)24-25-15-21-22(27-24)13-20(29-3)14-23(21)30-4/h5-8,13-16,18,26H,9-12H2,1-4H3
InChIKeyGQDKVVLPSGWIME-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.28
Rot. Bonds6

About 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine

1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 66744749) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID66744749
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine
SMILESCOc1cc(OC)c2cnc(-c3ccc(N4CCC(NC(C)C)CC4)cc3)nc2c1
InChIInChI=1S/C24H30N4O2/c1-16(2)26-18-9-11-28(12-10-18)19-7-5-17(6-8-19)24-25-15-21-22(27-24)13-20(29-3)14-23(21)30-4/h5-8,13-16,18,26H,9-12H2,1-4H3
InChIKeyGQDKVVLPSGWIME-UHFFFAOYSA-N
XLogP4.28
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine (CID 66744749) is 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine is COc1cc(OC)c2cnc(-c3ccc(N4CCC(NC(C)C)CC4)cc3)nc2c1.
What is the InChIKey of 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is GQDKVVLPSGWIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16(2)26-18-9-11-28(12-10-18)19-7-5-17(6-8-19)24-25-15-21-22(27-24)13-20(29-3)14-23(21)30-4/h5-8,13-16,18,26H,9-12H2,1-4H3.
What are the key properties of 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine?
1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 406.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 66744749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).