2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile

C28H25FN4O3 — CID 169251806

IUPAC2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile
SMILESCCc1cc(Oc2ccc(-c3ccc4nc(NN(C)O)c(F)cc4c3)cc2)cc(C#N)c1OC1CC1
InChIInChI=1S/C28H25FN4O3/c1-3-17-13-24(14-21(16-30)27(17)36-23-9-10-23)35-22-7-4-18(5-8-22)19-6-11-26-20(12-19)15-25(29)28(31-26)32-33(2)34/h4-8,11-15,23,34H,3,9-10H2,1-2H3,(H,31,32)
InChIKeyURUNIJLPUWJCAZ-UHFFFAOYSA-N
MW484.53 g/mol
LogP6.46
Rot. Bonds8

About 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile

2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile (PubChem CID 169251806) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile.

Molecular Properties

Compound Name2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile
PubChem CID169251806
Molecular FormulaC28H25FN4O3
Molecular Weight484.53 g/mol
Exact Mass484.19
IUPAC Name2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile
SMILESCCc1cc(Oc2ccc(-c3ccc4nc(NN(C)O)c(F)cc4c3)cc2)cc(C#N)c1OC1CC1
InChIInChI=1S/C28H25FN4O3/c1-3-17-13-24(14-21(16-30)27(17)36-23-9-10-23)35-22-7-4-18(5-8-22)19-6-11-26-20(12-19)15-25(29)28(31-26)32-33(2)34/h4-8,11-15,23,34H,3,9-10H2,1-2H3,(H,31,32)
InChIKeyURUNIJLPUWJCAZ-UHFFFAOYSA-N
XLogP6.46
TPSA90.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-{[2-(Aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile
CID 146025981
{6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-quinolin-2-yl}-hydrazine
CID 67091055
4-[3-Fluoro-5-(2-hydrazino-quinolin-6-ylmethoxy)-phenyl]-tetrahydro-pyran-4-ol
CID 67091122
[[6-[4-[3-Cyano-4-cyclopropyloxy-5-(trifluoromethyl)phenoxy]phenyl]quinoxalin-2-yl]amino]-hydroxy-methyl-sulfanylazanium
CID 169251881
[[6-[4-[3-Cyano-4-cyclopropyloxy-5-[difluoro(phosphanyl)methyl]phenoxy]phenyl]quinoxalin-2-yl]amino]-hydroxy-methyl-sulfanylazanium
CID 169252133
[6-Ethoxy-3-(4-fluorophenyl)quinolin-2-yl]hydrazine
CID 24267621
N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3,5-dimethylphenyl]methylideneamino]quinolin-2-amine
CID 125864533
[[6-[4-(3-Cyano-4-cyclopropyloxy-5-ethylphenoxy)phenyl]quinoxalin-2-yl]-methylamino]-hydroxy-methyl-sulfanylazanium
CID 169252040
N-[(6-methoxy-2-phenylchromen-4-ylidene)amino]quinolin-2-amine
CID 1645617
N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine
CID 3141444
4,6,8-trimethyl-N-[(4-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine
CID 4209175
4,6,8-trimethyl-N-[(3-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine
CID 4223189

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile?
The IUPAC name of 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile (CID 169251806) is 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile.
What is the SMILES notation for 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile?
The canonical SMILES for 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile is CCc1cc(Oc2ccc(-c3ccc4nc(NN(C)O)c(F)cc4c3)cc2)cc(C#N)c1OC1CC1.
What is the InChIKey of 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile?
The InChIKey is URUNIJLPUWJCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-3-17-13-24(14-21(16-30)27(17)36-23-9-10-23)35-22-7-4-18(5-8-22)19-6-11-26-20(12-19)15-25(29)28(31-26)32-33(2)34/h4-8,11-15,23,34H,3,9-10H2,1-2H3,(H,31,32).
What are the key properties of 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile?
2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile has a molecular weight of 484.53 g/mol, XLogP of 6.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-3-ethyl-5-[4-[3-fluoro-2-(2-hydroxy-2-methylhydrazinyl)quinolin-6-yl]phenoxy]benzonitrile is sourced from PubChem (CID 169251806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).