(6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one

C19H22N4O2 — CID 97390003

IUPAC(6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1ccc2c(n1CCn1cccn1)CC[C@H](NCc1ccco1)C2
InChIInChI=1S/C19H22N4O2/c24-19-7-4-15-13-16(20-14-17-3-1-12-25-17)5-6-18(15)23(19)11-10-22-9-2-8-21-22/h1-4,7-9,12,16,20H,5-6,10-11,13-14H2/t16-/m0/s1
InChIKeyWYBRSXUSEYYMLS-INIZCTEOSA-N
MW338.41 g/mol
LogP1.99
Rot. Bonds6

About (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one

(6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 97390003) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name(6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID97390003
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESO=c1ccc2c(n1CCn1cccn1)CC[C@H](NCc1ccco1)C2
InChIInChI=1S/C19H22N4O2/c24-19-7-4-15-13-16(20-14-17-3-1-12-25-17)5-6-18(15)23(19)11-10-22-9-2-8-21-22/h1-4,7-9,12,16,20H,5-6,10-11,13-14H2/t16-/m0/s1
InChIKeyWYBRSXUSEYYMLS-INIZCTEOSA-N
XLogP1.99
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

(6R)-6-(furan-3-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 97464191
(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 97464038
6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55248067
5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 131657036
N-(furan-2-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510207
1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 131642052
1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride
CID 172894489
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47176690
[1-ethyl-5-(furan-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45164963
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 97390003) is (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one is O=c1ccc2c(n1CCn1cccn1)CC[C@H](NCc1ccco1)C2.
What is the InChIKey of (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is WYBRSXUSEYYMLS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19-7-4-15-13-16(20-14-17-3-1-12-25-17)5-6-18(15)23(19)11-10-22-9-2-8-21-22/h1-4,7-9,12,16,20H,5-6,10-11,13-14H2/t16-/m0/s1.
What are the key properties of (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
(6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 97390003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).