(Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide

C36H50F2N4O5 — CID 143025845

IUPAC(Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide
SMILESC/C=C\C.C=C(C)F.CCN(CC)CCCOc1cc2nccc(Oc3ccc(NC(=O)C4C[C@H]4C)cc3F)c2cc1OC.NC=O
InChIInChI=1S/C28H34FN3O4.C4H8.C3H5F.CH3NO/c1-5-32(6-2)12-7-13-35-27-17-23-21(16-26(27)34-4)24(10-11-30-23)36-25-9-8-19(15-22(25)29)31-28(33)20-14-18(20)3;1-3-4-2;1-3(2)4;2-1-3/h8-11,15-18,20H,5-7,12-14H2,1-4H3,(H,31,33);3-4H,1-2H3;1H2,2H3;1H,(H2,2,3)/b;4-3-;;/t18-,20?;;;/m1.../s1
InChIKeyYEGONOLZMVIWNR-KIMFTNJQSA-N
MW656.82 g/mol
LogP8.05
Rot. Bonds12

About (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide

(Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide (PubChem CID 143025845) has the molecular formula C36H50F2N4O5 and a molecular weight of 656.82 g/mol. Its IUPAC name is (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide.

Molecular Properties

Compound Name(Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide
PubChem CID143025845
Molecular FormulaC36H50F2N4O5
Molecular Weight656.82 g/mol
Exact Mass656.37
IUPAC Name(Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide
SMILESC/C=C\C.C=C(C)F.CCN(CC)CCCOc1cc2nccc(Oc3ccc(NC(=O)C4C[C@H]4C)cc3F)c2cc1OC.NC=O
InChIInChI=1S/C28H34FN3O4.C4H8.C3H5F.CH3NO/c1-5-32(6-2)12-7-13-35-27-17-23-21(16-26(27)34-4)24(10-11-30-23)36-25-9-8-19(15-22(25)29)31-28(33)20-14-18(20)3;1-3-4-2;1-3(2)4;2-1-3/h8-11,15-18,20H,5-7,12-14H2,1-4H3,(H,31,33);3-4H,1-2H3;1H2,2H3;1H,(H2,2,3)/b;4-3-;;/t18-,20?;;;/m1.../s1
InChIKeyYEGONOLZMVIWNR-KIMFTNJQSA-N
XLogP8.05
TPSA116.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.82
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide with MolForge

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Related Compounds

1-N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-2-methylcyclopropane-1,1-dicarboxamide
CID 76617955
1-N'-[4-[6-[3-(diethylamino)propoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 123473274
N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide
CID 130443570
cis-(1R,2S)-2-N-[3-fluoro-4-[6-methoxy-7-(3-methoxypropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide
CID 178037413
N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
1-N'-[4-[7-(3-bromopropoxy)-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 164779111
1-N'-[3-fluoro-4-[6-methoxy-7-[3-[methyl(3-sulfanylpropyl)amino]propoxy]quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155184901
sodium;4-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;hydride
CID 175043268
cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide
CID 178037539
cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide
CID 178037610
sodium;5-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypentanoic acid;hydride
CID 175044490
1-N'-[4-[7-[3-[diethoxyphosphorylmethyl(methylsulfonyl)amino]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 56598358

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide?
The IUPAC name of (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide (CID 143025845) is (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide.
What is the SMILES notation for (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide?
The canonical SMILES for (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide is C/C=C\C.C=C(C)F.CCN(CC)CCCOc1cc2nccc(Oc3ccc(NC(=O)C4C[C@H]4C)cc3F)c2cc1OC.NC=O.
What is the InChIKey of (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide?
The InChIKey is YEGONOLZMVIWNR-KIMFTNJQSA-N. The full InChI is InChI=1S/C28H34FN3O4.C4H8.C3H5F.CH3NO/c1-5-32(6-2)12-7-13-35-27-17-23-21(16-26(27)34-4)24(10-11-30-23)36-25-9-8-19(15-22(25)29)31-28(33)20-14-18(20)3;1-3-4-2;1-3(2)4;2-1-3/h8-11,15-18,20H,5-7,12-14H2,1-4H3,(H,31,33);3-4H,1-2H3;1H2,2H3;1H,(H2,2,3)/b;4-3-;;/t18-,20?;;;/m1.../s1.
What are the key properties of (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide?
(Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide has a molecular weight of 656.82 g/mol, XLogP of 8.05, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;(2R)-N-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-methylcyclopropane-1-carboxamide;2-fluoroprop-1-ene;formamide is sourced from PubChem (CID 143025845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).