tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate

C24H27FN4O2 — CID 118328475

IUPACtert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate
SMILESCc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1-c1ccccc1F
InChIInChI=1S/C24H27FN4O2/c1-16-13-19-21(14-18(16)17-7-5-6-8-20(17)25)26-15-27-22(19)28-9-11-29(12-10-28)23(30)31-24(2,3)4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyIZVVXMKHIHAECV-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.80
Rot. Bonds2

About tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate

tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate (PubChem CID 118328475) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate
PubChem CID118328475
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Nametert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate
SMILESCc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1-c1ccccc1F
InChIInChI=1S/C24H27FN4O2/c1-16-13-19-21(14-18(16)17-7-5-6-8-20(17)25)26-15-27-22(19)28-9-11-29(12-10-28)23(30)31-24(2,3)4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyIZVVXMKHIHAECV-UHFFFAOYSA-N
XLogP4.80
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-Aminoquinazolin-6-Yl)-5-Fluorophenyl]-2-(Pyrrolidin-1-Yl)acetamide
CID 72705490
Tert-butyl 4-({[4-({[2-(dimethylamino)-7-methylquinazolin-4-yl]amino}methyl)phenyl]amino}carbonyl)piperidine-1-carboxylate
CID 45487424
7-(2,6-Dimethylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841611
N-[3-(4-aminoquinazolin-6-yl)-5-fluoro-phenyl]acetamide
CID 86703925
1-[(2S)-4-(5-fluoro-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]-4-quinazolin-5-ylbutan-1-one
CID 162659429
Ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate
CID 3744606
4-(6-Methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
CID 776450
Ethyl 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carboxylate
CID 2950708
N,N-dimethyl-1-[2-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methanamine
CID 3233029
N-[2-[[6-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide
CID 3233963
4-[6-(2-Methylphenyl)quinazolin-4-yl]morpholine
CID 3234793
4-[6-[2-(Trifluoromethyl)phenyl]quinazolin-4-yl]morpholine
CID 3234904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate (CID 118328475) is tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate is Cc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1-c1ccccc1F.
What is the InChIKey of tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate?
The InChIKey is IZVVXMKHIHAECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-16-13-19-21(14-18(16)17-7-5-6-8-20(17)25)26-15-27-22(19)28-9-11-29(12-10-28)23(30)31-24(2,3)4/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate has a molecular weight of 422.50 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[7-(2-fluorophenyl)-6-methylquinazolin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 118328475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).