5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one

C44H50N4O5 — CID 175998242

IUPAC5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one
SMILESCOc1cc(=O)n(C)cc1-c1ccc2nc(N3CCCCC3)nc(C(COC3CCCCO3)(CC3CC3)c3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C44H50N4O5/c1-47-28-37(39(50-2)26-40(47)49)33-16-21-38-36(25-33)42(46-43(45-38)48-22-8-4-9-23-48)44(27-31-14-15-31,30-53-41-13-7-10-24-51-41)34-17-19-35(20-18-34)52-29-32-11-5-3-6-12-32/h3,5-6,11-12,16-21,25-26,28,31,41H,4,7-10,13-15,22-24,27,29-30H2,1-2H3
InChIKeyHVUYHRRHXIIRRR-UHFFFAOYSA-N
MW714.91 g/mol
LogP8.20
Rot. Bonds13

About 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one

5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one (PubChem CID 175998242) has the molecular formula C44H50N4O5 and a molecular weight of 714.91 g/mol. Its IUPAC name is 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one
PubChem CID175998242
Molecular FormulaC44H50N4O5
Molecular Weight714.91 g/mol
Exact Mass714.38
IUPAC Name5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one
SMILESCOc1cc(=O)n(C)cc1-c1ccc2nc(N3CCCCC3)nc(C(COC3CCCCO3)(CC3CC3)c3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C44H50N4O5/c1-47-28-37(39(50-2)26-40(47)49)33-16-21-38-36(25-33)42(46-43(45-38)48-22-8-4-9-23-48)44(27-31-14-15-31,30-53-41-13-7-10-24-51-41)34-17-19-35(20-18-34)52-29-32-11-5-3-6-12-32/h3,5-6,11-12,16-21,25-26,28,31,41H,4,7-10,13-15,22-24,27,29-30H2,1-2H3
InChIKeyHVUYHRRHXIIRRR-UHFFFAOYSA-N
XLogP8.20
TPSA87.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S)-4-[[1-[4-[1-cyclopropyl-2-[4-(4-nitrophenoxy)carbonyloxyphenyl]-3-(oxan-2-yloxy)propan-2-yl]-6-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)quinazolin-2-yl]piperidin-4-yl]methyl]-2,5-dimethylpiperazine-1-carboxylic acid
CID 174207519
4-[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]-2-[4-[4-methyl-4-(prop-2-ynylamino)piperidin-1-yl]piperidin-1-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 174207515
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 13053562
tert-butyl N-[1-[1-[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]quinazolin-2-yl]piperidin-4-yl]-4-methylpiperidin-4-yl]carbamate
CID 170962141
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
CID 54240973
2-[3,4-dimethoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
CID 19761549
3-(oxan-2-yloxymethyl)-5-(4-phenylmethoxyphenyl)-1,2-oxazole-4-carbonitrile
CID 67079539
cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline
CID 158200899
6-[2-(oxan-2-yloxy)-6-phenylmethoxyphenoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 139263952
4-[[1-[6-iodo-4-[4-(oxan-2-yloxymethyl)heptan-4-yl]quinazolin-2-yl]piperidin-4-yl]methyl]piperazine-1-carboxylic acid
CID 174231810

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one?
The IUPAC name of 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one (CID 175998242) is 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one is COc1cc(=O)n(C)cc1-c1ccc2nc(N3CCCCC3)nc(C(COC3CCCCO3)(CC3CC3)c3ccc(OCc4ccccc4)cc3)c2c1.
What is the InChIKey of 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one?
The InChIKey is HVUYHRRHXIIRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50N4O5/c1-47-28-37(39(50-2)26-40(47)49)33-16-21-38-36(25-33)42(46-43(45-38)48-22-8-4-9-23-48)44(27-31-14-15-31,30-53-41-13-7-10-24-51-41)34-17-19-35(20-18-34)52-29-32-11-5-3-6-12-32/h3,5-6,11-12,16-21,25-26,28,31,41H,4,7-10,13-15,22-24,27,29-30H2,1-2H3.
What are the key properties of 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one?
5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one has a molecular weight of 714.91 g/mol, XLogP of 8.20, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-cyclopropyl-3-(oxan-2-yloxy)-2-(4-phenylmethoxyphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-6-yl]-4-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 175998242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).