6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide

C26H25N3 — CID 10156588

IUPAC6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4ccnc(C(C)C)c4c3)ccc2c1
InChIInChI=1S/C26H25N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-13,15,22-23H,14H2,1-2H3,(H3,27,28)
InChIKeyDNBFCJXJPYXVHD-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.07
Rot. Bonds4

About 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide

6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide (PubChem CID 10156588) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
PubChem CID10156588
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4ccnc(C(C)C)c4c3)ccc2c1
InChIInChI=1S/C26H25N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-13,15,22-23H,14H2,1-2H3,(H3,27,28)
InChIKeyDNBFCJXJPYXVHD-UHFFFAOYSA-N
XLogP6.07
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-[2-(1-propan-2-ylisoquinolin-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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
The IUPAC name of 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide (CID 10156588) is 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
The canonical SMILES for 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2cc(C3CC3c3ccc4ccnc(C(C)C)c4c3)ccc2c1.
What is the InChIKey of 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
The InChIKey is DNBFCJXJPYXVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-13,15,22-23H,14H2,1-2H3,(H3,27,28).
What are the key properties of 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide?
6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide has a molecular weight of 379.51 g/mol, XLogP of 6.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-propan-2-ylisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 10156588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).