2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate

C23H24ClFN4O2 — CID 58711861

IUPAC2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2nc(-c3ccccc3F)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H24ClFN4O2/c1-15(2)14-31-23(30)29-11-9-28(10-12-29)22-18-8-7-16(24)13-20(18)26-21(27-22)17-5-3-4-6-19(17)25/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyUAXPHDNHODRUCZ-UHFFFAOYSA-N
MW442.92 g/mol
LogP5.00
Rot. Bonds4

About 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate

2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate (PubChem CID 58711861) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
PubChem CID58711861
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC Name2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2nc(-c3ccccc3F)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H24ClFN4O2/c1-15(2)14-31-23(30)29-11-9-28(10-12-29)22-18-8-7-16(24)13-20(18)26-21(27-22)17-5-3-4-6-19(17)25/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyUAXPHDNHODRUCZ-UHFFFAOYSA-N
XLogP5.00
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.92
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(4-chlorophenyl)-N-ethylquinazoline-2-carboxamide
CID 90655956
4-(4-Chloro-phenyl)-2-morpholin-4-yl-quinazoline
CID 741297
2-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)quinazoline Hydrochloride
CID 2901327
7-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178340
N-[5-chloro-2-[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]phenyl]-4-(4-methylpiperazin-1-yl)butanamide
CID 56970358
Ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate
CID 3744606
2-(2-Chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 914528
2-(4-Chlorophenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 715628
3-[4-(3-Chloro-2-fluoroanilino)quinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 146246189
2-(4-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine
CID 1181447
Ethyl 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carboxylate
CID 2950708
ethenyl N-[[4-(3-chloroanilino)quinazolin-6-yl]diazenyl]-N-[2-(dimethylamino)ethyl]carbamate
CID 45485488

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate (CID 58711861) is 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(c2nc(-c3ccccc3F)nc3cc(Cl)ccc23)CC1.
What is the InChIKey of 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate?
The InChIKey is UAXPHDNHODRUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-15(2)14-31-23(30)29-11-9-28(10-12-29)22-18-8-7-16(24)13-20(18)26-21(27-22)17-5-3-4-6-19(17)25/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate?
2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate has a molecular weight of 442.92 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[7-chloro-2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 58711861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).