N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine

C21H23FN4O — CID 118722385

IUPACN-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccc(F)cc3)nc(N3CCCCC3)nc12
InChIInChI=1S/C21H23FN4O/c1-27-18-7-5-6-17-19(18)24-21(26-12-3-2-4-13-26)25-20(17)23-14-15-8-10-16(22)11-9-15/h5-11H,2-4,12-14H2,1H3,(H,23,24,25)
InChIKeyCSWFDXCRDZZJKJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.38
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine

N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 118722385) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine
PubChem CID118722385
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccc(F)cc3)nc(N3CCCCC3)nc12
InChIInChI=1S/C21H23FN4O/c1-27-18-7-5-6-17-19(18)24-21(26-12-3-2-4-13-26)25-20(17)23-14-15-8-10-16(22)11-9-15/h5-11H,2-4,12-14H2,1H3,(H,23,24,25)
InChIKeyCSWFDXCRDZZJKJ-UHFFFAOYSA-N
XLogP4.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine (CID 118722385) is N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine is COc1cccc2c(NCc3ccc(F)cc3)nc(N3CCCCC3)nc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is CSWFDXCRDZZJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-27-18-7-5-6-17-19(18)24-21(26-12-3-2-4-13-26)25-20(17)23-14-15-8-10-16(22)11-9-15/h5-11H,2-4,12-14H2,1H3,(H,23,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine?
N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 366.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-methoxy-2-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 118722385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).