1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one

C27H29N3O — CID 20817724

IUPAC1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one
SMILESCc1ccc2c(c1)c(NC1CCN(Cc3ccc4ccccc4c3)CC1)cc(=O)n2C
InChIInChI=1S/C27H29N3O/c1-19-7-10-26-24(15-19)25(17-27(31)29(26)2)28-23-11-13-30(14-12-23)18-20-8-9-21-5-3-4-6-22(21)16-20/h3-10,15-17,23,28H,11-14,18H2,1-2H3
InChIKeyHMQUTXJOYDIDGH-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.08
Rot. Bonds4

About 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one

1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one (PubChem CID 20817724) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one
PubChem CID20817724
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one
SMILESCc1ccc2c(c1)c(NC1CCN(Cc3ccc4ccccc4c3)CC1)cc(=O)n2C
InChIInChI=1S/C27H29N3O/c1-19-7-10-26-24(15-19)25(17-27(31)29(26)2)28-23-11-13-30(14-12-23)18-20-8-9-21-5-3-4-6-22(21)16-20/h3-10,15-17,23,28H,11-14,18H2,1-2H3
InChIKeyHMQUTXJOYDIDGH-UHFFFAOYSA-N
XLogP5.08
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one?
The IUPAC name of 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one (CID 20817724) is 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one?
The canonical SMILES for 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one is Cc1ccc2c(c1)c(NC1CCN(Cc3ccc4ccccc4c3)CC1)cc(=O)n2C.
What is the InChIKey of 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one?
The InChIKey is HMQUTXJOYDIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-19-7-10-26-24(15-19)25(17-27(31)29(26)2)28-23-11-13-30(14-12-23)18-20-8-9-21-5-3-4-6-22(21)16-20/h3-10,15-17,23,28H,11-14,18H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one?
1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one has a molecular weight of 411.55 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one is sourced from PubChem (CID 20817724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).