N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide

C32H39N3O — CID 10277586

IUPACN'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
SMILESCC(C)/C=C/c1cc(C2CC2c2ccc3c(c2)C(C(C)C)N(C)CC3)cc2ccc(/C(N)=N/O)cc12
InChIInChI=1S/C32H39N3O/c1-19(2)6-7-22-14-26(15-23-10-11-25(17-27(22)23)32(33)34-36)29-18-28(29)24-9-8-21-12-13-35(5)31(20(3)4)30(21)16-24/h6-11,14-17,19-20,28-29,31,36H,12-13,18H2,1-5H3,(H2,33,34)/b7-6+
InChIKeyIILJIWPEUFVUHG-VOTSOKGWSA-N
MW481.68 g/mol
LogP7.06
Rot. Bonds6

About N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide

N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide (PubChem CID 10277586) has the molecular formula C32H39N3O and a molecular weight of 481.68 g/mol. Its IUPAC name is N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
PubChem CID10277586
Molecular FormulaC32H39N3O
Molecular Weight481.68 g/mol
Exact Mass481.31
IUPAC NameN'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
SMILESCC(C)/C=C/c1cc(C2CC2c2ccc3c(c2)C(C(C)C)N(C)CC3)cc2ccc(/C(N)=N/O)cc12
InChIInChI=1S/C32H39N3O/c1-19(2)6-7-22-14-26(15-23-10-11-25(17-27(22)23)32(33)34-36)29-18-28(29)24-9-8-21-12-13-35(5)31(20(3)4)30(21)16-24/h6-11,14-17,19-20,28-29,31,36H,12-13,18H2,1-5H3,(H2,33,34)/b7-6+
InChIKeyIILJIWPEUFVUHG-VOTSOKGWSA-N
XLogP7.06
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide 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

6-[2-[2-(cyclopropylmethyl)-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carboximidamide
CID 10296843
6-[2-[1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropyl]naphthalene-2-carbonitrile
CID 18680080
8-[(E)-3-methoxyprop-1-enyl]-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
CID 10195171
3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593469
6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
CID 10156588
3-chloro-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 77020681
3-fluoro-N'-hydroxy-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77032481
5-tert-butyl-8-(N'-hydroxycarbamimidoyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid
CID 173060435
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121
2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 11096090
N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide
CID 123743083
4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide
CID 139231775

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
The IUPAC name of N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide (CID 10277586) is N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
The canonical SMILES for N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide is CC(C)/C=C/c1cc(C2CC2c2ccc3c(c2)C(C(C)C)N(C)CC3)cc2ccc(/C(N)=N/O)cc12.
What is the InChIKey of N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
The InChIKey is IILJIWPEUFVUHG-VOTSOKGWSA-N. The full InChI is InChI=1S/C32H39N3O/c1-19(2)6-7-22-14-26(15-23-10-11-25(17-27(22)23)32(33)34-36)29-18-28(29)24-9-8-21-12-13-35(5)31(20(3)4)30(21)16-24/h6-11,14-17,19-20,28-29,31,36H,12-13,18H2,1-5H3,(H2,33,34)/b7-6+.
What are the key properties of N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide has a molecular weight of 481.68 g/mol, XLogP of 7.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-8-[(E)-3-methylbut-1-enyl]-6-[2-(2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 10277586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).