N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide

C19H26N4OS — CID 25014874

IUPACN'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CCCN2CCCNCCO)c1cccs1
InChIInChI=1S/C19H26N4OS/c20-19(18-5-2-13-25-18)22-16-6-7-17-15(14-16)4-1-10-23(17)11-3-8-21-9-12-24/h2,5-7,13-14,21,24H,1,3-4,8-12H2,(H2,20,22)
InChIKeyXRXMFXYNMHVIGE-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.51
Rot. Bonds8

About N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide

N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide (PubChem CID 25014874) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
PubChem CID25014874
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CCCN2CCCNCCO)c1cccs1
InChIInChI=1S/C19H26N4OS/c20-19(18-5-2-13-25-18)22-16-6-7-17-15(14-16)4-1-10-23(17)11-3-8-21-9-12-24/h2,5-7,13-14,21,24H,1,3-4,8-12H2,(H2,20,22)
InChIKeyXRXMFXYNMHVIGE-UHFFFAOYSA-N
XLogP2.51
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide (CID 25014874) is N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2c(c1)CCCN2CCCNCCO)c1cccs1.
What is the InChIKey of N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
The InChIKey is XRXMFXYNMHVIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c20-19(18-5-2-13-25-18)22-16-6-7-17-15(14-16)4-1-10-23(17)11-3-8-21-9-12-24/h2,5-7,13-14,21,24H,1,3-4,8-12H2,(H2,20,22).
What are the key properties of N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide?
N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide has a molecular weight of 358.51 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 25014874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).