N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide

C31H33N3O2 — CID 163872296

IUPACN-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide
SMILESCCCc1nc2c(nc1NC(=O)Cc1ccc3c(C(C)C)cccc3c1)CCc1cc(OC)ccc1-2
InChIInChI=1S/C31H33N3O2/c1-5-7-28-31(33-27-15-11-22-18-23(36-4)12-14-26(22)30(27)32-28)34-29(35)17-20-10-13-25-21(16-20)8-6-9-24(25)19(2)3/h6,8-10,12-14,16,18-19H,5,7,11,15,17H2,1-4H3,(H,33,34,35)
InChIKeyPLWNLLBHPQSFPG-UHFFFAOYSA-N
MW479.62 g/mol
LogP6.66
Rot. Bonds7

About N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide

N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide (PubChem CID 163872296) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide
PubChem CID163872296
Molecular FormulaC31H33N3O2
Molecular Weight479.62 g/mol
Exact Mass479.26
IUPAC NameN-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide
SMILESCCCc1nc2c(nc1NC(=O)Cc1ccc3c(C(C)C)cccc3c1)CCc1cc(OC)ccc1-2
InChIInChI=1S/C31H33N3O2/c1-5-7-28-31(33-27-15-11-22-18-23(36-4)12-14-26(22)30(27)32-28)34-29(35)17-20-10-13-25-21(16-20)8-6-9-24(25)19(2)3/h6,8-10,12-14,16,18-19H,5,7,11,15,17H2,1-4H3,(H,33,34,35)
InChIKeyPLWNLLBHPQSFPG-UHFFFAOYSA-N
XLogP6.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide?
The IUPAC name of N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide (CID 163872296) is N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide?
The canonical SMILES for N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide is CCCc1nc2c(nc1NC(=O)Cc1ccc3c(C(C)C)cccc3c1)CCc1cc(OC)ccc1-2.
What is the InChIKey of N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide?
The InChIKey is PLWNLLBHPQSFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2/c1-5-7-28-31(33-27-15-11-22-18-23(36-4)12-14-26(22)30(27)32-28)34-29(35)17-20-10-13-25-21(16-20)8-6-9-24(25)19(2)3/h6,8-10,12-14,16,18-19H,5,7,11,15,17H2,1-4H3,(H,33,34,35).
What are the key properties of N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide?
N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide has a molecular weight of 479.62 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(5-propan-2-ylnaphthalen-2-yl)acetamide is sourced from PubChem (CID 163872296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).