(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

C19H27N3O2 — CID 97464038

IUPAC(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1ccc(CN[C@H]2CCc3c(ccc(=O)n3CCN(C)C)C2)o1
InChIInChI=1S/C19H27N3O2/c1-14-4-7-17(24-14)13-20-16-6-8-18-15(12-16)5-9-19(23)22(18)11-10-21(2)3/h4-5,7,9,16,20H,6,8,10-13H2,1-3H3/t16-/m0/s1
InChIKeyHGQYYHPMEOUDOR-INIZCTEOSA-N
MW329.44 g/mol
LogP1.96
Rot. Bonds6

About (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 97464038) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID97464038
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1ccc(CN[C@H]2CCc3c(ccc(=O)n3CCN(C)C)C2)o1
InChIInChI=1S/C19H27N3O2/c1-14-4-7-17(24-14)13-20-16-6-8-18-15(12-16)5-9-19(23)22(18)11-10-21(2)3/h4-5,7,9,16,20H,6,8,10-13H2,1-3H3/t16-/m0/s1
InChIKeyHGQYYHPMEOUDOR-INIZCTEOSA-N
XLogP1.96
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 97464038) is (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is Cc1ccc(CN[C@H]2CCc3c(ccc(=O)n3CCN(C)C)C2)o1.
What is the InChIKey of (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is HGQYYHPMEOUDOR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-4-7-17(24-14)13-20-16-6-8-18-15(12-16)5-9-19(23)22(18)11-10-21(2)3/h4-5,7,9,16,20H,6,8,10-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 97464038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).