ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate

C23H25N3O2 — CID 6616737

IUPACethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc23)CC1
InChIInChI=1S/C23H25N3O2/c1-3-28-23(27)18-12-14-26(15-13-18)22-19-6-4-5-7-20(19)24-21(25-22)17-10-8-16(2)9-11-17/h4-11,18H,3,12-15H2,1-2H3
InChIKeyFMFXHGSJVABBPS-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.38
Rot. Bonds4

About ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate

ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate (PubChem CID 6616737) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate
PubChem CID6616737
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Nameethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc23)CC1
InChIInChI=1S/C23H25N3O2/c1-3-28-23(27)18-12-14-26(15-13-18)22-19-6-4-5-7-20(19)24-21(25-22)17-10-8-16(2)9-11-17/h4-11,18H,3,12-15H2,1-2H3
InChIKeyFMFXHGSJVABBPS-UHFFFAOYSA-N
XLogP4.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate (CID 6616737) is ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc23)CC1.
What is the InChIKey of ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate?
The InChIKey is FMFXHGSJVABBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-28-23(27)18-12-14-26(15-13-18)22-19-6-4-5-7-20(19)24-21(25-22)17-10-8-16(2)9-11-17/h4-11,18H,3,12-15H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate?
ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methylphenyl)quinazolin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 6616737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).