ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate

C23H25N3O2 — CID 4552361

IUPACethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nc(-c2ccccc2)c2cc(C)ccc2n1
InChIInChI=1S/C23H25N3O2/c1-3-28-22(27)20-11-7-8-14-26(20)23-24-19-13-12-16(2)15-18(19)21(25-23)17-9-5-4-6-10-17/h4-6,9-10,12-13,15,20H,3,7-8,11,14H2,1-2H3
InChIKeyNFTGWLKOBRFBKT-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.53
Rot. Bonds4

About ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate

ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate (PubChem CID 4552361) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate
PubChem CID4552361
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Nameethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nc(-c2ccccc2)c2cc(C)ccc2n1
InChIInChI=1S/C23H25N3O2/c1-3-28-22(27)20-11-7-8-14-26(20)23-24-19-13-12-16(2)15-18(19)21(25-23)17-9-5-4-6-10-17/h4-6,9-10,12-13,15,20H,3,7-8,11,14H2,1-2H3
InChIKeyNFTGWLKOBRFBKT-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline
CID 16616241
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994
ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate
CID 18721820
ethyl 1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidine-2-carboxylate
CID 107546692
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
CID 80647768
N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide
CID 4729103
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate
CID 105363274
2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
CID 2862104
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 38485472
(1S,6R)-6-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 1069557
2-ethoxy-6-methyl-4-phenylquinazoline
CID 742337

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate (CID 4552361) is ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1nc(-c2ccccc2)c2cc(C)ccc2n1.
What is the InChIKey of ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate?
The InChIKey is NFTGWLKOBRFBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-28-22(27)20-11-7-8-14-26(20)23-24-19-13-12-16(2)15-18(19)21(25-23)17-9-5-4-6-10-17/h4-6,9-10,12-13,15,20H,3,7-8,11,14H2,1-2H3.
What are the key properties of ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate?
ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 4552361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).