4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide

C23H23FN2O3 — CID 171646055

IUPAC4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide
SMILESCCc1cc(C)c(Oc2ccnc3ccc(C(=O)NCC4COC4)cc23)cc1F
InChIInChI=1S/C23H23FN2O3/c1-3-16-8-14(2)22(10-19(16)24)29-21-6-7-25-20-5-4-17(9-18(20)21)23(27)26-11-15-12-28-13-15/h4-10,15H,3,11-13H2,1-2H3,(H,26,27)
InChIKeyDQIDCXOTTAPJLC-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.41
Rot. Bonds6

About 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide

4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide (PubChem CID 171646055) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide
PubChem CID171646055
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide
SMILESCCc1cc(C)c(Oc2ccnc3ccc(C(=O)NCC4COC4)cc23)cc1F
InChIInChI=1S/C23H23FN2O3/c1-3-16-8-14(2)22(10-19(16)24)29-21-6-7-25-20-5-4-17(9-18(20)21)23(27)26-11-15-12-28-13-15/h4-10,15H,3,11-13H2,1-2H3,(H,26,27)
InChIKeyDQIDCXOTTAPJLC-UHFFFAOYSA-N
XLogP4.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide
CID 171645698
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-3-fluoro-2-methylphenoxy]-N-(oxetan-3-yl)quinoline-6-carboxamide
CID 171646063
4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167533681
CID 176994101
CID 176994101
3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944200
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-3-fluoro-2-methylphenoxy]-N-ethylquinoline-6-carboxamide
CID 171645503
4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167645967
3-(7-ethylquinolin-4-yl)oxy-4-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 167579786
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166231513
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide?
The IUPAC name of 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide (CID 171646055) is 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide.
What is the SMILES notation for 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide?
The canonical SMILES for 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide is CCc1cc(C)c(Oc2ccnc3ccc(C(=O)NCC4COC4)cc23)cc1F.
What is the InChIKey of 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide?
The InChIKey is DQIDCXOTTAPJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-3-16-8-14(2)22(10-19(16)24)29-21-6-7-25-20-5-4-17(9-18(20)21)23(27)26-11-15-12-28-13-15/h4-10,15H,3,11-13H2,1-2H3,(H,26,27).
What are the key properties of 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide?
4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide is sourced from PubChem (CID 171646055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).