N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide

C19H15N5OS — CID 143638398

IUPACN'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESN/N=C(\N)c1ccc2c(c1)nc(Nc1cccc(C=O)c1)c1ccsc12
InChIInChI=1S/C19H15N5OS/c20-18(24-21)12-4-5-14-16(9-12)23-19(15-6-7-26-17(14)15)22-13-3-1-2-11(8-13)10-25/h1-10H,21H2,(H2,20,24)(H,22,23)
InChIKeyLQAFNBYDOPVPSO-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.58
Rot. Bonds4

About N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide

N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide (PubChem CID 143638398) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide
PubChem CID143638398
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESN/N=C(\N)c1ccc2c(c1)nc(Nc1cccc(C=O)c1)c1ccsc12
InChIInChI=1S/C19H15N5OS/c20-18(24-21)12-4-5-14-16(9-12)23-19(15-6-7-26-17(14)15)22-13-3-1-2-11(8-13)10-25/h1-10H,21H2,(H2,20,24)(H,22,23)
InChIKeyLQAFNBYDOPVPSO-UHFFFAOYSA-N
XLogP3.58
TPSA106.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Related Compounds

N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638450
N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638374
N,N'-diamino-4-(3-bromoanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638444
N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143858026
[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium
CID 147805675
N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638501
N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638405
3-[[7-(N'-diazenylcarbamimidoyl)thieno[3,2-c]quinolin-4-yl]amino]-N-(2-imino-4-oxopentyl)benzamide
CID 136635962
4-(3-chloro-5-fluoroanilino)-N'-diazenylthieno[3,2-c]quinoline-7-carboximidamide
CID 136628356
3-(thieno[3,2-d]pyrimidin-4-ylamino)benzaldehyde
CID 167084503
N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide
CID 143858013
4-anilinothieno[3,2-c]quinoline-7-carbonitrile
CID 50941655

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The IUPAC name of N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide (CID 143638398) is N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide.
What is the SMILES notation for N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The canonical SMILES for N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide is N/N=C(\N)c1ccc2c(c1)nc(Nc1cccc(C=O)c1)c1ccsc12.
What is the InChIKey of N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The InChIKey is LQAFNBYDOPVPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c20-18(24-21)12-4-5-14-16(9-12)23-19(15-6-7-26-17(14)15)22-13-3-1-2-11(8-13)10-25/h1-10H,21H2,(H2,20,24)(H,22,23).
What are the key properties of N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide?
N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide has a molecular weight of 361.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143638398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).