N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide

C34H37N3O5 — CID 53321772

IUPACN-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide
SMILESCCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CC(C)NC(=O)Cc3ccccc3OC)cc1C)C2=O
InChIInChI=1S/C34H37N3O5/c1-6-41-32-25-12-10-16-35-31(25)33(42-7-2)26-20-37(34(39)30(26)32)27-15-14-23(17-21(27)3)18-22(4)36-29(38)19-24-11-8-9-13-28(24)40-5/h8-17,22H,6-7,18-20H2,1-5H3,(H,36,38)
InChIKeyHPAXCHSSDJKBCU-UHFFFAOYSA-N
MW567.69 g/mol
LogP5.80
Rot. Bonds11

About N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide

N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide (PubChem CID 53321772) has the molecular formula C34H37N3O5 and a molecular weight of 567.69 g/mol. Its IUPAC name is N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide
PubChem CID53321772
Molecular FormulaC34H37N3O5
Molecular Weight567.69 g/mol
Exact Mass567.27
IUPAC NameN-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide
SMILESCCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CC(C)NC(=O)Cc3ccccc3OC)cc1C)C2=O
InChIInChI=1S/C34H37N3O5/c1-6-41-32-25-12-10-16-35-31(25)33(42-7-2)26-20-37(34(39)30(26)32)27-15-14-23(17-21(27)3)18-22(4)36-29(38)19-24-11-8-9-13-28(24)40-5/h8-17,22H,6-7,18-20H2,1-5H3,(H,36,38)
InChIKeyHPAXCHSSDJKBCU-UHFFFAOYSA-N
XLogP5.80
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide (CID 53321772) is N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide is CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CC(C)NC(=O)Cc3ccccc3OC)cc1C)C2=O.
What is the InChIKey of N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is HPAXCHSSDJKBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O5/c1-6-41-32-25-12-10-16-35-31(25)33(42-7-2)26-20-37(34(39)30(26)32)27-15-14-23(17-21(27)3)18-22(4)36-29(38)19-24-11-8-9-13-28(24)40-5/h8-17,22H,6-7,18-20H2,1-5H3,(H,36,38).
What are the key properties of N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide?
N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 567.69 g/mol, XLogP of 5.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]propan-2-yl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 53321772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).