acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine

C28H36FN5O2 — CID 145161869

IUPACacetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine
SMILESCC.CC=O.CCc1cncc(F)c1N(C)c1c(C)cnc2cc(OC)c(-c3cnn(CC)c3)cc12
InChIInChI=1S/C24H26FN5O.C2H4O.C2H6/c1-6-16-11-26-13-20(25)24(16)29(4)23-15(3)10-27-21-9-22(31-5)18(8-19(21)23)17-12-28-30(7-2)14-17;1-2-3;1-2/h8-14H,6-7H2,1-5H3;2H,1H3;1-2H3
InChIKeyBKRNFFZIEBLFIU-UHFFFAOYSA-N
MW493.63 g/mol
LogP6.53
Rot. Bonds6

About acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine

acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine (PubChem CID 145161869) has the molecular formula C28H36FN5O2 and a molecular weight of 493.63 g/mol. Its IUPAC name is acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine.

Molecular Properties

Compound Nameacetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine
PubChem CID145161869
Molecular FormulaC28H36FN5O2
Molecular Weight493.63 g/mol
Exact Mass493.29
IUPAC Nameacetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine
SMILESCC.CC=O.CCc1cncc(F)c1N(C)c1c(C)cnc2cc(OC)c(-c3cnn(CC)c3)cc12
InChIInChI=1S/C24H26FN5O.C2H4O.C2H6/c1-6-16-11-26-13-20(25)24(16)29(4)23-15(3)10-27-21-9-22(31-5)18(8-19(21)23)17-12-28-30(7-2)14-17;1-2-3;1-2/h8-14H,6-7H2,1-5H3;2H,1H3;1-2H3
InChIKeyBKRNFFZIEBLFIU-UHFFFAOYSA-N
XLogP6.53
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-difluoro-4-pyridinyl)-N-[7-methoxy-3-methyl-6-(1-methylpyrazol-4-yl)quinolin-4-yl]acetamide
CID 145161808
N-[6-(1,3-dimethylpyrazol-4-yl)-4-[(3-fluoro-5-methoxy-4-pyridinyl)-methylamino]-7-methoxyquinolin-3-yl]-N-methylformamide
CID 138615272
4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
CID 156547134
2-(1-ethylpyrazol-4-yl)-4,5-difluorobenzaldehyde
CID 172909498
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589435
8-(1-ethylpyrazol-4-yl)-1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;8-(1-ethylpyrazol-4-yl)-7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[4,5-c]quinolin-2-one;1-(5-fluoropyrimidin-4-yl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-1-(3-methoxy-4-pyridinyl)-3-methyl-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 160627704
1-[3-fluoro-5-(trideuteriomethoxy)-4-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589373
2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methylbenzoic acid
CID 172914074
1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid
CID 154908656
(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376
8-(1,3-dimethylpyrazol-4-yl)-1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 148708079
2-[4-(3-formyl-4-methoxy-5-methylphenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 171919543

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine?
The IUPAC name of acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine (CID 145161869) is acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine.
What is the SMILES notation for acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine?
The canonical SMILES for acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine is CC.CC=O.CCc1cncc(F)c1N(C)c1c(C)cnc2cc(OC)c(-c3cnn(CC)c3)cc12.
What is the InChIKey of acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine?
The InChIKey is BKRNFFZIEBLFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O.C2H4O.C2H6/c1-6-16-11-26-13-20(25)24(16)29(4)23-15(3)10-27-21-9-22(31-5)18(8-19(21)23)17-12-28-30(7-2)14-17;1-2-3;1-2/h8-14H,6-7H2,1-5H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine?
acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine has a molecular weight of 493.63 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;N-(3-ethyl-5-fluoro-4-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methoxy-N,3-dimethylquinolin-4-amine is sourced from PubChem (CID 145161869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).