6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride

C19H20Cl3FN4 — CID 68778549

IUPAC6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
SMILESCl.Cl.Fc1ccccc1-c1nc(NC2CCNCC2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H18ClFN4.2ClH/c20-12-5-6-17-15(11-12)18(14-3-1-2-4-16(14)21)25-19(24-17)23-13-7-9-22-10-8-13;;/h1-6,11,13,22H,7-10H2,(H,23,24,25);2*1H
InChIKeyBHBUPMABTLTFJV-UHFFFAOYSA-N
MW429.75 g/mol
LogP5.10
Rot. Bonds3

About 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride

6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride (PubChem CID 68778549) has the molecular formula C19H20Cl3FN4 and a molecular weight of 429.75 g/mol. Its IUPAC name is 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
PubChem CID68778549
Molecular FormulaC19H20Cl3FN4
Molecular Weight429.75 g/mol
Exact Mass428.07
IUPAC Name6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
SMILESCl.Cl.Fc1ccccc1-c1nc(NC2CCNCC2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H18ClFN4.2ClH/c20-12-5-6-17-15(11-12)18(14-3-1-2-4-16(14)21)25-19(24-17)23-13-7-9-22-10-8-13;;/h1-6,11,13,22H,7-10H2,(H,23,24,25);2*1H
InChIKeyBHBUPMABTLTFJV-UHFFFAOYSA-N
XLogP5.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.75
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride?
The IUPAC name of 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride (CID 68778549) is 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride.
What is the SMILES notation for 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride?
The canonical SMILES for 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride is Cl.Cl.Fc1ccccc1-c1nc(NC2CCNCC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride?
The InChIKey is BHBUPMABTLTFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4.2ClH/c20-12-5-6-17-15(11-12)18(14-3-1-2-4-16(14)21)25-19(24-17)23-13-7-9-22-10-8-13;;/h1-6,11,13,22H,7-10H2,(H,23,24,25);2*1H.
What are the key properties of 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride?
6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride has a molecular weight of 429.75 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluorophenyl)-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride is sourced from PubChem (CID 68778549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).