N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride

C19H26Cl2N4S — CID 90665208

IUPACN'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(c1)CCCN2C1CCNCC1)c1cccs1
InChIInChI=1S/C19H24N4S.2ClH/c20-19(18-4-2-12-24-18)22-15-5-6-17-14(13-15)3-1-11-23(17)16-7-9-21-10-8-16;;/h2,4-6,12-13,16,21H,1,3,7-11H2,(H2,20,22);2*1H
InChIKeyZCBRBLDHBXTQSQ-UHFFFAOYSA-N
MW413.42 g/mol
LogP4.13
Rot. Bonds3

About N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride

N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride (PubChem CID 90665208) has the molecular formula C19H26Cl2N4S and a molecular weight of 413.42 g/mol. Its IUPAC name is N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
PubChem CID90665208
Molecular FormulaC19H26Cl2N4S
Molecular Weight413.42 g/mol
Exact Mass412.13
IUPAC NameN'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(c1)CCCN2C1CCNCC1)c1cccs1
InChIInChI=1S/C19H24N4S.2ClH/c20-19(18-4-2-12-24-18)22-15-5-6-17-14(13-15)3-1-11-23(17)16-7-9-21-10-8-16;;/h2,4-6,12-13,16,21H,1,3,7-11H2,(H2,20,22);2*1H
InChIKeyZCBRBLDHBXTQSQ-UHFFFAOYSA-N
XLogP4.13
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride (CID 90665208) is N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride is Cl.Cl.N/C(=N\c1ccc2c(c1)CCCN2C1CCNCC1)c1cccs1.
What is the InChIKey of N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is ZCBRBLDHBXTQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S.2ClH/c20-19(18-4-2-12-24-18)22-15-5-6-17-14(13-15)3-1-11-23(17)16-7-9-21-10-8-16;;/h2,4-6,12-13,16,21H,1,3,7-11H2,(H2,20,22);2*1H.
What are the key properties of N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride?
N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 413.42 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 90665208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).