[5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate

C27H35N3O4 — CID 141096573

IUPAC[5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate
SMILESCN1CCC(Oc2cc(OCc3ccccc3)cc3c2CN(COC(=O)C(C)(C)C)C=N3)CC1
InChIInChI=1S/C27H35N3O4/c1-27(2,3)26(31)33-19-30-16-23-24(28-18-30)14-22(32-17-20-8-6-5-7-9-20)15-25(23)34-21-10-12-29(4)13-11-21/h5-9,14-15,18,21H,10-13,16-17,19H2,1-4H3
InChIKeyOMXNVHPMZSTSQW-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.76
Rot. Bonds7

About [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate

[5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate (PubChem CID 141096573) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate
PubChem CID141096573
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name[5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate
SMILESCN1CCC(Oc2cc(OCc3ccccc3)cc3c2CN(COC(=O)C(C)(C)C)C=N3)CC1
InChIInChI=1S/C27H35N3O4/c1-27(2,3)26(31)33-19-30-16-23-24(28-18-30)14-22(32-17-20-8-6-5-7-9-20)15-25(23)34-21-10-12-29(4)13-11-21/h5-9,14-15,18,21H,10-13,16-17,19H2,1-4H3
InChIKeyOMXNVHPMZSTSQW-UHFFFAOYSA-N
XLogP4.76
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate with MolForge

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Related Compounds

tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
[5-(2-methylbut-3-yn-2-yloxy)-4-oxo-7-phenylmethoxyquinazolin-3-yl]methyl 2,2-dimethylpropanoate
CID 171582377
N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine
CID 68885074
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
tert-butyl (3S)-3-[(5-phenylmethoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134579999
[3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate
CID 76756661
N-(3-chloro-4-fluorophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine
CID 68885046
tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate (CID 141096573) is [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate is CN1CCC(Oc2cc(OCc3ccccc3)cc3c2CN(COC(=O)C(C)(C)C)C=N3)CC1.
What is the InChIKey of [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is OMXNVHPMZSTSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-27(2,3)26(31)33-19-30-16-23-24(28-18-30)14-22(32-17-20-8-6-5-7-9-20)15-25(23)34-21-10-12-29(4)13-11-21/h5-9,14-15,18,21H,10-13,16-17,19H2,1-4H3.
What are the key properties of [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate?
[5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 465.59 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxy-4H-quinazolin-3-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 141096573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).