ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene

C57H62N6O5 — CID 142024490

IUPACethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene
SMILESC=CC.CC.CC.Cc1oc(-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1C(=O)O.[H]/N=C(\N=N\N)c1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)c1
InChIInChI=1S/C28H27N5O.C22H17NO4.C3H6.2C2H6/c29-28(32-33-30)23-6-3-4-19(15-23)14-20-8-9-21-11-13-26(17-24(21)16-20)34-18-25-12-10-22-5-1-2-7-27(22)31-25;1-14-19(22(24)25)12-21(27-14)16-7-10-18(11-8-16)26-13-17-9-6-15-4-2-3-5-20(15)23-17;1-3-2;2*1-2/h1-7,10-13,15,17,20H,8-9,14,16,18H2,(H3,29,30,32);2-12H,13H2,1H3,(H,24,25);3H,1H2,2H3;2*1-2H3
InChIKeyKBUDNNLIANDANN-UHFFFAOYSA-N
MW911.16 g/mol
LogP14.14
Rot. Bonds11

About ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene

ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene (PubChem CID 142024490) has the molecular formula C57H62N6O5 and a molecular weight of 911.16 g/mol. Its IUPAC name is ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene.

Molecular Properties

Compound Nameethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene
PubChem CID142024490
Molecular FormulaC57H62N6O5
Molecular Weight911.16 g/mol
Exact Mass910.48
IUPAC Nameethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene
SMILESC=CC.CC.CC.Cc1oc(-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1C(=O)O.[H]/N=C(\N=N\N)c1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)c1
InChIInChI=1S/C28H27N5O.C22H17NO4.C3H6.2C2H6/c29-28(32-33-30)23-6-3-4-19(15-23)14-20-8-9-21-11-13-26(17-24(21)16-20)34-18-25-12-10-22-5-1-2-7-27(22)31-25;1-14-19(22(24)25)12-21(27-14)16-7-10-18(11-8-16)26-13-17-9-6-15-4-2-3-5-20(15)23-17;1-3-2;2*1-2/h1-7,10-13,15,17,20H,8-9,14,16,18H2,(H3,29,30,32);2-12H,13H2,1H3,(H,24,25);3H,1H2,2H3;2*1-2H3
InChIKeyKBUDNNLIANDANN-UHFFFAOYSA-N
XLogP14.14
TPSA169.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.16
LogP ≤ 514.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid
CID 9968782
3-[2-methyl-4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-2-yl]pentanoic acid
CID 67896608
2-Methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;3-[[3-methyl-5-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 70096628
2-Ethyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 70097648
2-Methyl-3-[[2-methyl-3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;3-[[2-methyl-4-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 70388533
2,6-Dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
CID 70388708
2-Methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 70388713
2-Methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 70388720
[4-Methoxy-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoyl] 2,6-dimethyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 88626184
[2-Methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoyl] 2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate
CID 88626190
3-Ethyl-2-methyl-4-phenylmethoxy-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
CID 141030052
3-Ethyl-6-methyl-2-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
CID 141030081

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene?
The IUPAC name of ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene (CID 142024490) is ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene.
What is the SMILES notation for ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene?
The canonical SMILES for ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene is C=CC.CC.CC.Cc1oc(-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1C(=O)O.[H]/N=C(\N=N\N)c1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2)c1.
What is the InChIKey of ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene?
The InChIKey is KBUDNNLIANDANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O.C22H17NO4.C3H6.2C2H6/c29-28(32-33-30)23-6-3-4-19(15-23)14-20-8-9-21-11-13-26(17-24(21)16-20)34-18-25-12-10-22-5-1-2-7-27(22)31-25;1-14-19(22(24)25)12-21(27-14)16-7-10-18(11-8-16)26-13-17-9-6-15-4-2-3-5-20(15)23-17;1-3-2;2*1-2/h1-7,10-13,15,17,20H,8-9,14,16,18H2,(H3,29,30,32);2-12H,13H2,1H3,(H,24,25);3H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene?
ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene has a molecular weight of 911.16 g/mol, XLogP of 14.14, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydrazinylidene-3-[[7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]benzenecarboximidamide;2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylic acid;prop-1-ene is sourced from PubChem (CID 142024490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).