cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide

C22H24FN5O3S — CID 144764685

IUPACcyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide
SMILESCc1cc(N=S)cc2ncnc(Nc3ccc(F)cc3OCC(N)=O)c12.OC1CCCC1
InChIInChI=1S/C17H14FN5O2S.C5H10O/c1-9-4-11(23-26)6-13-16(9)17(21-8-20-13)22-12-3-2-10(18)5-14(12)25-7-15(19)24;6-5-3-1-2-4-5/h2-6,8H,7H2,1H3,(H2,19,24)(H,20,21,22);5-6H,1-4H2
InChIKeyORCQSLPOMCZLOQ-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.97
Rot. Bonds6

About cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide

cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide (PubChem CID 144764685) has the molecular formula C22H24FN5O3S and a molecular weight of 457.53 g/mol. Its IUPAC name is cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide.

Molecular Properties

Compound Namecyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide
PubChem CID144764685
Molecular FormulaC22H24FN5O3S
Molecular Weight457.53 g/mol
Exact Mass457.16
IUPAC Namecyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide
SMILESCc1cc(N=S)cc2ncnc(Nc3ccc(F)cc3OCC(N)=O)c12.OC1CCCC1
InChIInChI=1S/C17H14FN5O2S.C5H10O/c1-9-4-11(23-26)6-13-16(9)17(21-8-20-13)22-12-3-2-10(18)5-14(12)25-7-15(19)24;6-5-3-1-2-4-5/h2-6,8H,7H2,1H3,(H2,19,24)(H,20,21,22);5-6H,1-4H2
InChIKeyORCQSLPOMCZLOQ-UHFFFAOYSA-N
XLogP3.97
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]-N-prop-2-ynylacetamide
CID 144764636
4-[[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]methyl]piperidin-2-one
CID 134269393
4-[2-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-5-fluorophenoxy]cyclohexan-1-ol
CID 90140625
N-(2-but-3-yn-2-yloxy-4-fluorophenyl)-5-methyl-7-thionitrosoquinazolin-4-amine
CID 134269481
2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide
CID 139397318
2-[2-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-5-fluorophenoxy]-N-ethylacetamide
CID 144764726
N-[4-fluoro-2-(1-pyridin-4-ylethoxy)phenyl]-5-methyl-7-thionitrosoquinazolin-4-amine
CID 134269498
N-[4-fluoro-2-[1-(2-methylimidazol-1-yl)propan-2-yloxy]phenyl]-5-methyl-7-thionitrosoquinazolin-4-amine
CID 134269316
N-(2-cyclopropyloxy-4-fluorophenyl)-7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-amine
CID 90140563
4-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]cyclohexan-1-ol;methanethiol
CID 144622962
4-N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylquinazoline-4,7-diamine;methanethiol;methanol
CID 144623004
2-[2-[[7-[(3-amino-1-oxothiolan-1-ylidene)amino]-5-methylquinazolin-4-yl]amino]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 144764632

Frequently Asked Questions

What is the IUPAC name of cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide?
The IUPAC name of cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide (CID 144764685) is cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide.
What is the SMILES notation for cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide?
The canonical SMILES for cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide is Cc1cc(N=S)cc2ncnc(Nc3ccc(F)cc3OCC(N)=O)c12.OC1CCCC1.
What is the InChIKey of cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide?
The InChIKey is ORCQSLPOMCZLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S.C5H10O/c1-9-4-11(23-26)6-13-16(9)17(21-8-20-13)22-12-3-2-10(18)5-14(12)25-7-15(19)24;6-5-3-1-2-4-5/h2-6,8H,7H2,1H3,(H2,19,24)(H,20,21,22);5-6H,1-4H2.
What are the key properties of cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide?
cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide is sourced from PubChem (CID 144764685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).