[4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone

C21H22FN5O — CID 146092204

IUPAC[4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCN(C)c1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H22FN5O/c1-25(2)19-17-5-3-4-6-18(17)23-21(24-19)27-13-11-26(12-14-27)20(28)15-7-9-16(22)10-8-15/h3-10H,11-14H2,1-2H3
InChIKeyLOTJQWUAAUQQAJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.80
Rot. Bonds3

About [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone

[4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 146092204) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID146092204
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name[4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCN(C)c1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H22FN5O/c1-25(2)19-17-5-3-4-6-18(17)23-21(24-19)27-13-11-26(12-14-27)20(28)15-7-9-16(22)10-8-15/h3-10H,11-14H2,1-2H3
InChIKeyLOTJQWUAAUQQAJ-UHFFFAOYSA-N
XLogP2.80
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995927
1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride
CID 52995764
(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093007
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 121031818
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133306230
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
(4-fluorophenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047613
(4-fluorophenyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 133481811
2-chloro-N-[[1-[4-(dimethylamino)quinazolin-2-yl]piperidin-4-yl]methyl]-3,6-difluorobenzamide
CID 142231025
[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]-phenylmethanone;hydrate
CID 110168643
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone (CID 146092204) is [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone is CN(C)c1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc2ccccc12.
What is the InChIKey of [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is LOTJQWUAAUQQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-25(2)19-17-5-3-4-6-18(17)23-21(24-19)27-13-11-26(12-14-27)20(28)15-7-9-16(22)10-8-15/h3-10H,11-14H2,1-2H3.
What are the key properties of [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 379.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 146092204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).