(5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C20H20N2O — CID 97314987

IUPAC(5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O/c23-20-11-10-17-18(6-3-7-19(17)22-20)21-13-14-8-9-15-4-1-2-5-16(15)12-14/h1-2,4-5,8-12,18,21H,3,6-7,13H2,(H,22,23)/t18-/m1/s1
InChIKeyZWMFDGVWJDSXMR-GOSISDBHSA-N
MW304.39 g/mol
LogP3.70
Rot. Bonds3

About (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

(5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 97314987) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID97314987
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O/c23-20-11-10-17-18(6-3-7-19(17)22-20)21-13-14-8-9-15-4-1-2-5-16(15)12-14/h1-2,4-5,8-12,18,21H,3,6-7,13H2,(H,22,23)/t18-/m1/s1
InChIKeyZWMFDGVWJDSXMR-GOSISDBHSA-N
XLogP3.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 97314987) is (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc2ccccc2c1.
What is the InChIKey of (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ZWMFDGVWJDSXMR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20-11-10-17-18(6-3-7-19(17)22-20)21-13-14-8-9-15-4-1-2-5-16(15)12-14/h1-2,4-5,8-12,18,21H,3,6-7,13H2,(H,22,23)/t18-/m1/s1.
What are the key properties of (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
(5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 304.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 97314987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).