ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate

C25H27N3O4 — CID 57203653

IUPACethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate
SMILESCCOC(=O)C(CO)C1CCCN(C(=O)c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C25H27N3O4/c1-2-32-25(31)20(16-29)18-11-8-14-28(15-18)24(30)22-19-12-6-7-13-21(19)26-23(27-22)17-9-4-3-5-10-17/h3-7,9-10,12-13,18,20,29H,2,8,11,14-16H2,1H3
InChIKeyARTWBEGEOYWEGB-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.32
Rot. Bonds6

About ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate

ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate (PubChem CID 57203653) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate
PubChem CID57203653
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Nameethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate
SMILESCCOC(=O)C(CO)C1CCCN(C(=O)c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C25H27N3O4/c1-2-32-25(31)20(16-29)18-11-8-14-28(15-18)24(30)22-19-12-6-7-13-21(19)26-23(27-22)17-9-4-3-5-10-17/h3-7,9-10,12-13,18,20,29H,2,8,11,14-16H2,1H3
InChIKeyARTWBEGEOYWEGB-UHFFFAOYSA-N
XLogP3.32
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Phenyl-[(2-phenyl-quinazoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 10810808
4-(4-Phenylpiperazine-1-carbonyl)quinazoline-2-carboxamide
CID 44144297
Ethyl 4-[[ethyl-(4-phenylquinazoline-2-carbonyl)amino]methyl]benzoate
CID 90655961
4-[[Ethyl-(4-phenylquinazoline-2-carbonyl)amino]methyl]benzoic acid
CID 90655962
6-[4-(4-Phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 660299
2-[2-[[2-[3-(Aminomethyl)phenyl]quinazoline-4-carbonyl]amino]phenyl]acetic acid
CID 139561169
Ethyl 1-[(2,6-dimethyl-4-pyrimidinyl)carbonyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16188449
4-(Piperidine-1-carbonyl)quinazoline-2-carboxamide
CID 44144296
(1R,6R)-6-[4-(4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 1386859
[4-(4-Fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone
CID 50938882
Ethyl 4-[4-[4-(dimethylamino)quinazolin-2-yl]-3-fluorobenzoyl]piperazine-1-carboxylate
CID 59213206
2-[4-(4-Phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3522546

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate?
The IUPAC name of ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate (CID 57203653) is ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate?
The canonical SMILES for ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate is CCOC(=O)C(CO)C1CCCN(C(=O)c2nc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate?
The InChIKey is ARTWBEGEOYWEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-2-32-25(31)20(16-29)18-11-8-14-28(15-18)24(30)22-19-12-6-7-13-21(19)26-23(27-22)17-9-4-3-5-10-17/h3-7,9-10,12-13,18,20,29H,2,8,11,14-16H2,1H3.
What are the key properties of ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate?
ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate has a molecular weight of 433.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-[1-(2-phenylquinazoline-4-carbonyl)piperidin-3-yl]propanoate is sourced from PubChem (CID 57203653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).