2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide

C27H30N4O4 — CID 142872914

IUPAC2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCc1cc(COc2ccc(C3(C)CCN(CC(C)(N)C(=O)NC=O)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C27H30N4O4/c1-18-14-19(22-6-4-5-7-23(22)30-18)15-35-21-10-8-20(9-11-21)26(2)12-13-31(25(26)34)16-27(3,28)24(33)29-17-32/h4-11,14,17H,12-13,15-16,28H2,1-3H3,(H,29,32,33)
InChIKeyYKJCYUBQZSFKEU-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.60
Rot. Bonds8

About 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide

2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 142872914) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
PubChem CID142872914
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCc1cc(COc2ccc(C3(C)CCN(CC(C)(N)C(=O)NC=O)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C27H30N4O4/c1-18-14-19(22-6-4-5-7-23(22)30-18)15-35-21-10-8-20(9-11-21)26(2)12-13-31(25(26)34)16-27(3,28)24(33)29-17-32/h4-11,14,17H,12-13,15-16,28H2,1-3H3,(H,29,32,33)
InChIKeyYKJCYUBQZSFKEU-UHFFFAOYSA-N
XLogP2.60
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide (CID 142872914) is 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide is Cc1cc(COc2ccc(C3(C)CCN(CC(C)(N)C(=O)NC=O)C3=O)cc2)c2ccccc2n1.
What is the InChIKey of 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is YKJCYUBQZSFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-18-14-19(22-6-4-5-7-23(22)30-18)15-35-21-10-8-20(9-11-21)26(2)12-13-31(25(26)34)16-27(3,28)24(33)29-17-32/h4-11,14,17H,12-13,15-16,28H2,1-3H3,(H,29,32,33).
What are the key properties of 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 474.56 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 142872914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).