3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride

C16H17ClN2O2 — CID 91942901

IUPAC3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride
SMILESCl.O=C(C=Cc1ccco1)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H16N2O2.ClH/c19-16(8-7-14-4-2-10-20-14)18-13-6-5-12-3-1-9-17-15(12)11-13;/h2,4-8,10-11,17H,1,3,9H2,(H,18,19);1H
InChIKeyHPCHYQSEAUBXIO-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.71
Rot. Bonds3

About 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride

3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride (PubChem CID 91942901) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride
PubChem CID91942901
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride
SMILESCl.O=C(C=Cc1ccco1)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H16N2O2.ClH/c19-16(8-7-14-4-2-10-20-14)18-13-6-5-12-3-1-9-17-15(12)11-13;/h2,4-8,10-11,17H,1,3,9H2,(H,18,19);1H
InChIKeyHPCHYQSEAUBXIO-UHFFFAOYSA-N
XLogP3.71
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929977
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 71960941
N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide
CID 75407752
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropane-1-carboxamide
CID 63928713
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide
CID 107180778
(E)-3-(furan-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 66485469

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride?
The IUPAC name of 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride (CID 91942901) is 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride.
What is the SMILES notation for 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride?
The canonical SMILES for 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride is Cl.O=C(C=Cc1ccco1)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride?
The InChIKey is HPCHYQSEAUBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.ClH/c19-16(8-7-14-4-2-10-20-14)18-13-6-5-12-3-1-9-17-15(12)11-13;/h2,4-8,10-11,17H,1,3,9H2,(H,18,19);1H.
What are the key properties of 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride?
3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride is sourced from PubChem (CID 91942901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).