1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde

C15H15N3OS — CID 118975129

IUPAC1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde
SMILESCCCN(N)c1c(C=O)sc2ccc3ncccc3c12
InChIInChI=1S/C15H15N3OS/c1-2-8-18(16)15-13(9-19)20-12-6-5-11-10(14(12)15)4-3-7-17-11/h3-7,9H,2,8,16H2,1H3
InChIKeyBHNXPSIJWGEVAX-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.35
Rot. Bonds4

About 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde

1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde (PubChem CID 118975129) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde
PubChem CID118975129
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde
SMILESCCCN(N)c1c(C=O)sc2ccc3ncccc3c12
InChIInChI=1S/C15H15N3OS/c1-2-8-18(16)15-13(9-19)20-12-6-5-11-10(14(12)15)4-3-7-17-11/h3-7,9H,2,8,16H2,1H3
InChIKeyBHNXPSIJWGEVAX-UHFFFAOYSA-N
XLogP3.35
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

quinoline-5-carbaldehyde;hydrochloride
CID 174461977
3-methylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374291
3-ethylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374274
ethane;5-ethylquinoline
CID 143401043
14-methyl-13-(2-methylphenyl)-11-thia-6-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
CID 140871431
2-(propylamino)-1-quinolin-5-ylethanol
CID 81221210
N'-propyl-N'-quinolin-4-ylethane-1,2-diamine
CID 55241600
6-N-ethylquinoline-5,6-diamine
CID 43809532
3-ethyl-1-benzothiophene-2-carbaldehyde
CID 82374273
2-(ethylamino)pyridine-3-carbaldehyde
CID 15561922
CID 89036654
CID 89036654
2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 79234896

Frequently Asked Questions

What is the IUPAC name of 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde?
The IUPAC name of 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde (CID 118975129) is 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde.
What is the SMILES notation for 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde?
The canonical SMILES for 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde is CCCN(N)c1c(C=O)sc2ccc3ncccc3c12.
What is the InChIKey of 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde?
The InChIKey is BHNXPSIJWGEVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-8-18(16)15-13(9-19)20-12-6-5-11-10(14(12)15)4-3-7-17-11/h3-7,9H,2,8,16H2,1H3.
What are the key properties of 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde?
1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde has a molecular weight of 285.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(propyl)amino]thieno[3,2-f]quinoline-2-carbaldehyde is sourced from PubChem (CID 118975129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).