N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide

C23H25N7S — CID 70968965

IUPACN'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide
SMILESC=NNC(=NN)c1ccc2c(c1)nc(NCCN(C)C)c1cc(-c3ccccc3)sc12
InChIInChI=1S/C23H25N7S/c1-25-29-22(28-24)16-9-10-17-19(13-16)27-23(26-11-12-30(2)3)18-14-20(31-21(17)18)15-7-5-4-6-8-15/h4-10,13-14H,1,11-12,24H2,2-3H3,(H,26,27)(H,28,29)
InChIKeyRXQXNKGLKYALJD-UHFFFAOYSA-N
MW431.57 g/mol
LogP3.92
Rot. Bonds7

About N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide

N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide (PubChem CID 70968965) has the molecular formula C23H25N7S and a molecular weight of 431.57 g/mol. Its IUPAC name is N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide
PubChem CID70968965
Molecular FormulaC23H25N7S
Molecular Weight431.57 g/mol
Exact Mass431.19
IUPAC NameN'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide
SMILESC=NNC(=NN)c1ccc2c(c1)nc(NCCN(C)C)c1cc(-c3ccccc3)sc12
InChIInChI=1S/C23H25N7S/c1-25-29-22(28-24)16-9-10-17-19(13-16)27-23(26-11-12-30(2)3)18-14-20(31-21(17)18)15-7-5-4-6-8-15/h4-10,13-14H,1,11-12,24H2,2-3H3,(H,26,27)(H,28,29)
InChIKeyRXQXNKGLKYALJD-UHFFFAOYSA-N
XLogP3.92
TPSA90.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide?
The IUPAC name of N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide (CID 70968965) is N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide.
What is the SMILES notation for N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide?
The canonical SMILES for N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide is C=NNC(=NN)c1ccc2c(c1)nc(NCCN(C)C)c1cc(-c3ccccc3)sc12.
What is the InChIKey of N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide?
The InChIKey is RXQXNKGLKYALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7S/c1-25-29-22(28-24)16-9-10-17-19(13-16)27-23(26-11-12-30(2)3)18-14-20(31-21(17)18)15-7-5-4-6-8-15/h4-10,13-14H,1,11-12,24H2,2-3H3,(H,26,27)(H,28,29).
What are the key properties of N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide?
N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide has a molecular weight of 431.57 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-[2-(dimethylamino)ethylamino]-N-(methylideneamino)-2-phenylthieno[3,2-c]quinoline-7-carboximidamide is sourced from PubChem (CID 70968965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).