6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine

C19H19BrN4O — CID 118892398

IUPAC6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine
SMILESBrc1cc(OC2CCNCC2)c2nc(Nc3ccccc3)ncc2c1
InChIInChI=1S/C19H19BrN4O/c20-14-10-13-12-22-19(23-15-4-2-1-3-5-15)24-18(13)17(11-14)25-16-6-8-21-9-7-16/h1-5,10-12,16,21H,6-9H2,(H,22,23,24)
InChIKeyDPNOPJYQGZLPOT-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.27
Rot. Bonds4

About 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine

6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 118892398) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine
PubChem CID118892398
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine
SMILESBrc1cc(OC2CCNCC2)c2nc(Nc3ccccc3)ncc2c1
InChIInChI=1S/C19H19BrN4O/c20-14-10-13-12-22-19(23-15-4-2-1-3-5-15)24-18(13)17(11-14)25-16-6-8-21-9-7-16/h1-5,10-12,16,21H,6-9H2,(H,22,23,24)
InChIKeyDPNOPJYQGZLPOT-UHFFFAOYSA-N
XLogP4.27
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine (CID 118892398) is 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine is Brc1cc(OC2CCNCC2)c2nc(Nc3ccccc3)ncc2c1.
What is the InChIKey of 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is DPNOPJYQGZLPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c20-14-10-13-12-22-19(23-15-4-2-1-3-5-15)24-18(13)17(11-14)25-16-6-8-21-9-7-16/h1-5,10-12,16,21H,6-9H2,(H,22,23,24).
What are the key properties of 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine?
6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 399.29 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-phenyl-8-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 118892398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).