4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide

C30H34N6O — CID 155777585

IUPAC4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
SMILESCc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@H]4CN(C)CCN54)nc23)ccc1C(=O)N(C)C
InChIInChI=1S/C30H34N6O/c1-18-12-20(7-9-24(18)30(37)34(3)4)25-15-31-29-27(25)33-26(16-32-29)22-13-19(2)28-21(14-22)6-8-23-17-35(5)10-11-36(23)28/h7,9,12-16,23H,6,8,10-11,17H2,1-5H3,(H,31,32)/t23-/m0/s1
InChIKeyPNLSHMAHKUVTQI-QHCPKHFHSA-N
MW494.64 g/mol
LogP4.68
Rot. Bonds3

About 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide

4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide (PubChem CID 155777585) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
PubChem CID155777585
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC Name4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
SMILESCc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@H]4CN(C)CCN54)nc23)ccc1C(=O)N(C)C
InChIInChI=1S/C30H34N6O/c1-18-12-20(7-9-24(18)30(37)34(3)4)25-15-31-29-27(25)33-26(16-32-29)22-13-19(2)28-21(14-22)6-8-23-17-35(5)10-11-36(23)28/h7,9,12-16,23H,6,8,10-11,17H2,1-5H3,(H,31,32)/t23-/m0/s1
InChIKeyPNLSHMAHKUVTQI-QHCPKHFHSA-N
XLogP4.68
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide?
The IUPAC name of 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide (CID 155777585) is 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide is Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@H]4CN(C)CCN54)nc23)ccc1C(=O)N(C)C.
What is the InChIKey of 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide?
The InChIKey is PNLSHMAHKUVTQI-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H34N6O/c1-18-12-20(7-9-24(18)30(37)34(3)4)25-15-31-29-27(25)33-26(16-32-29)22-13-19(2)28-21(14-22)6-8-23-17-35(5)10-11-36(23)28/h7,9,12-16,23H,6,8,10-11,17H2,1-5H3,(H,31,32)/t23-/m0/s1.
What are the key properties of 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide?
4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide has a molecular weight of 494.64 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 155777585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).