(2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one

C50H58F2N8O5 — CID 160776153

IUPAC(2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one
SMILESCc1ccc2c(N3CCN(C(=O)CCC(C)(C)F)CC3)nc(-c3ccccc3O)nc2c1.Cc1ccc2c(N3CCN(C(=O)[C@H](O)CC(C)(C)F)CC3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H29FN4O3.C25H29FN4O2/c1-16-8-9-17-19(14-16)27-22(18-6-4-5-7-20(18)31)28-23(17)29-10-12-30(13-11-29)24(33)21(32)15-25(2,3)26;1-17-8-9-18-20(16-17)27-23(19-6-4-5-7-21(19)31)28-24(18)30-14-12-29(13-15-30)22(32)10-11-25(2,3)26/h4-9,14,21,31-32H,10-13,15H2,1-3H3;4-9,16,31H,10-15H2,1-3H3/t21-;/m1./s1
InChIKeyRZYWSBJLYCFDBP-ZMBIFBSDSA-N
MW889.06 g/mol
LogP7.95
Rot. Bonds10

About (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one

(2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 160776153) has the molecular formula C50H58F2N8O5 and a molecular weight of 889.06 g/mol. Its IUPAC name is (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one
PubChem CID160776153
Molecular FormulaC50H58F2N8O5
Molecular Weight889.06 g/mol
Exact Mass888.45
IUPAC Name(2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one
SMILESCc1ccc2c(N3CCN(C(=O)CCC(C)(C)F)CC3)nc(-c3ccccc3O)nc2c1.Cc1ccc2c(N3CCN(C(=O)[C@H](O)CC(C)(C)F)CC3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H29FN4O3.C25H29FN4O2/c1-16-8-9-17-19(14-16)27-22(18-6-4-5-7-20(18)31)28-23(17)29-10-12-30(13-11-29)24(33)21(32)15-25(2,3)26;1-17-8-9-18-20(16-17)27-23(19-6-4-5-7-21(19)31)28-24(18)30-14-12-29(13-15-30)22(32)10-11-25(2,3)26/h4-9,14,21,31-32H,10-13,15H2,1-3H3;4-9,16,31H,10-15H2,1-3H3/t21-;/m1./s1
InChIKeyRZYWSBJLYCFDBP-ZMBIFBSDSA-N
XLogP7.95
TPSA159.35 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.06
LogP ≤ 57.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

butane;2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]butan-1-one
CID 143245075
bis(2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-3-methylbutan-1-one);hydrochloride
CID 161364853
3-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-5-methylhexan-1-one
CID 143198707
2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 159506141
3-ethyl-3-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]hexan-1-one
CID 143198587
1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;methoxymethylbenzene
CID 143198658
bis((2R)-1-[4-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one);hydrochloride
CID 158205493
(2R)-1-[4-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;molecular hydrogen
CID 161039660
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
CID 143198505
1-[4-[2-(5-fluoro-2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-5-methylhexan-1-one
CID 143198644
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one
CID 70835274

Frequently Asked Questions

What is the IUPAC name of (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one (CID 160776153) is (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one is Cc1ccc2c(N3CCN(C(=O)CCC(C)(C)F)CC3)nc(-c3ccccc3O)nc2c1.Cc1ccc2c(N3CCN(C(=O)[C@H](O)CC(C)(C)F)CC3)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is RZYWSBJLYCFDBP-ZMBIFBSDSA-N. The full InChI is InChI=1S/C25H29FN4O3.C25H29FN4O2/c1-16-8-9-17-19(14-16)27-22(18-6-4-5-7-20(18)31)28-23(17)29-10-12-30(13-11-29)24(33)21(32)15-25(2,3)26;1-17-8-9-18-20(16-17)27-23(19-6-4-5-7-21(19)31)28-24(18)30-14-12-29(13-15-30)22(32)10-11-25(2,3)26/h4-9,14,21,31-32H,10-13,15H2,1-3H3;4-9,16,31H,10-15H2,1-3H3/t21-;/m1./s1.
What are the key properties of (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one?
(2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 889.06 g/mol, XLogP of 7.95, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-fluoro-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;4-fluoro-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 160776153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).