1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one

C22H24FN5O — CID 33120826

IUPAC1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
SMILESNc1nc(CN2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc2ccccc12
InChIInChI=1S/C22H24FN5O/c23-17-8-5-16(6-9-17)7-10-21(29)28-13-11-27(12-14-28)15-20-25-19-4-2-1-3-18(19)22(24)26-20/h1-6,8-9H,7,10-15H2,(H2,24,25,26)
InChIKeyKSIMUWBEEQRCNQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.63
Rot. Bonds5

About 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one (PubChem CID 33120826) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
PubChem CID33120826
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
SMILESNc1nc(CN2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc2ccccc12
InChIInChI=1S/C22H24FN5O/c23-17-8-5-16(6-9-17)7-10-21(29)28-13-11-27(12-14-28)15-20-25-19-4-2-1-3-18(19)22(24)26-20/h1-6,8-9H,7,10-15H2,(H2,24,25,26)
InChIKeyKSIMUWBEEQRCNQ-UHFFFAOYSA-N
XLogP2.63
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one with MolForge

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Related Compounds

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 33120529
N-[3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 37129953
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 33120411
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
N-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]prop-2-enamide
CID 166411504
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 33120801
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 167806447
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34953369
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one?
The IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one (CID 33120826) is 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one is Nc1nc(CN2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc2ccccc12.
What is the InChIKey of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one?
The InChIKey is KSIMUWBEEQRCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-17-8-5-16(6-9-17)7-10-21(29)28-13-11-27(12-14-28)15-20-25-19-4-2-1-3-18(19)22(24)26-20/h1-6,8-9H,7,10-15H2,(H2,24,25,26).
What are the key properties of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one?
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one has a molecular weight of 393.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 33120826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).