6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one

C31H29ClN4O — CID 22348215

IUPAC6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one
SMILESO=c1cc(N(Cc2ccc3ccccc3c2)C2CCNCC2)c2cc(Cl)ccc2n1Cc1cccnc1
InChIInChI=1S/C31H29ClN4O/c32-26-9-10-29-28(17-26)30(18-31(37)36(29)21-23-4-3-13-34-19-23)35(27-11-14-33-15-12-27)20-22-7-8-24-5-1-2-6-25(24)16-22/h1-10,13,16-19,27,33H,11-12,14-15,20-21H2
InChIKeyWZYBZFIWWAKGPM-UHFFFAOYSA-N
MW509.05 g/mol
LogP6.01
Rot. Bonds6

About 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one

6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one (PubChem CID 22348215) has the molecular formula C31H29ClN4O and a molecular weight of 509.05 g/mol. Its IUPAC name is 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one
PubChem CID22348215
Molecular FormulaC31H29ClN4O
Molecular Weight509.05 g/mol
Exact Mass508.20
IUPAC Name6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one
SMILESO=c1cc(N(Cc2ccc3ccccc3c2)C2CCNCC2)c2cc(Cl)ccc2n1Cc1cccnc1
InChIInChI=1S/C31H29ClN4O/c32-26-9-10-29-28(17-26)30(18-31(37)36(29)21-23-4-3-13-34-19-23)35(27-11-14-33-15-12-27)20-22-7-8-24-5-1-2-6-25(24)16-22/h1-10,13,16-19,27,33H,11-12,14-15,20-21H2
InChIKeyWZYBZFIWWAKGPM-UHFFFAOYSA-N
XLogP6.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.05
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one?
The IUPAC name of 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one (CID 22348215) is 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one.
What is the SMILES notation for 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one?
The canonical SMILES for 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one is O=c1cc(N(Cc2ccc3ccccc3c2)C2CCNCC2)c2cc(Cl)ccc2n1Cc1cccnc1.
What is the InChIKey of 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one?
The InChIKey is WZYBZFIWWAKGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN4O/c32-26-9-10-29-28(17-26)30(18-31(37)36(29)21-23-4-3-13-34-19-23)35(27-11-14-33-15-12-27)20-22-7-8-24-5-1-2-6-25(24)16-22/h1-10,13,16-19,27,33H,11-12,14-15,20-21H2.
What are the key properties of 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one?
6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one has a molecular weight of 509.05 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one is sourced from PubChem (CID 22348215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).