(S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol

C16H16FNO2 — CID 132521149

IUPAC(S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol
SMILESC=C1C[C@]1(C)[C@H](O)c1c(F)cnc2ccc(OC)cc12
InChIInChI=1S/C16H16FNO2/c1-9-7-16(9,2)15(19)14-11-6-10(20-3)4-5-13(11)18-8-12(14)17/h4-6,8,15,19H,1,7H2,2-3H3/t15-,16+/m1/s1
InChIKeyLMSTZGXKLVBFBN-CVEARBPZSA-N
MW273.31 g/mol
LogP3.38
Rot. Bonds3

About (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol

(S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol (PubChem CID 132521149) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol.

Molecular Properties

Compound Name(S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol
PubChem CID132521149
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol
SMILESC=C1C[C@]1(C)[C@H](O)c1c(F)cnc2ccc(OC)cc12
InChIInChI=1S/C16H16FNO2/c1-9-7-16(9,2)15(19)14-11-6-10(20-3)4-5-13(11)18-8-12(14)17/h4-6,8,15,19H,1,7H2,2-3H3/t15-,16+/m1/s1
InChIKeyLMSTZGXKLVBFBN-CVEARBPZSA-N
XLogP3.38
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-6-methoxyquinolin-4-yl)-(1-methyl-2-methylidenecyclobutyl)methanol
CID 132565965
3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropanal
CID 145147650
(1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 146550272
4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid
CID 69362150
tert-butyl N-[(3R,6S)-6-[2-(3-fluoro-6-methoxyquinolin-4-yl)-1,2-dihydroxyethyl]oxan-3-yl]carbamate
CID 67366628
(1S)-1-[(2S)-8-methoxy-2-methyl-1H-furo[2,3-c]quinolin-2-yl]-2,2-dimethylpropan-1-ol
CID 71134949
(1R)-1-(3-fluoro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-[3-(2,4,6-trifluorophenyl)propyl]piperidin-4-yl]propan-1-ol
CID 70019261
(1R)-1-(3-fluoro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-[2-(3,4,5-trifluoroanilino)ethyl]piperidin-4-yl]propan-1-ol
CID 20797848
methyl 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-prop-2-ynylpiperidine-3-carboxylate
CID 139996950
4-(cyclohexylmethyl)-1-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperazine-2-carbaldehyde;methoxymethane
CID 145147663
4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-N-hydroxy-1-[2-(3,4,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide
CID 20797847
2-[4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-[2-(3,4,5-trifluorophenoxy)ethyl]piperidin-4-yl]acetic acid
CID 20797845

Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol?
The IUPAC name of (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol (CID 132521149) is (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol.
What is the SMILES notation for (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol?
The canonical SMILES for (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol is C=C1C[C@]1(C)[C@H](O)c1c(F)cnc2ccc(OC)cc12.
What is the InChIKey of (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol?
The InChIKey is LMSTZGXKLVBFBN-CVEARBPZSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-9-7-16(9,2)15(19)14-11-6-10(20-3)4-5-13(11)18-8-12(14)17/h4-6,8,15,19H,1,7H2,2-3H3/t15-,16+/m1/s1.
What are the key properties of (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol?
(S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol has a molecular weight of 273.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol is sourced from PubChem (CID 132521149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).