3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione

C23H32N6O2 — CID 58944942

IUPAC3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione
SMILES[C-]#[N+]CCN(CC)C(C)C1CCN(c2ccc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1
InChIInChI=1S/C23H32N6O2/c1-5-26(13-11-25-4)16(3)17-10-12-27(14-17)20-9-8-19-21(15(20)2)28(18-6-7-18)23(31)29(24)22(19)30/h8-9,16-18H,5-7,10-14,24H2,1-3H3
InChIKeySRZCQSPXZXFWGG-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.98
Rot. Bonds7

About 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione

3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione (PubChem CID 58944942) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione
PubChem CID58944942
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione
SMILES[C-]#[N+]CCN(CC)C(C)C1CCN(c2ccc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1
InChIInChI=1S/C23H32N6O2/c1-5-26(13-11-25-4)16(3)17-10-12-27(14-17)20-9-8-19-21(15(20)2)28(18-6-7-18)23(31)29(24)22(19)30/h8-9,16-18H,5-7,10-14,24H2,1-3H3
InChIKeySRZCQSPXZXFWGG-UHFFFAOYSA-N
XLogP1.98
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione?
The IUPAC name of 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione (CID 58944942) is 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione?
The canonical SMILES for 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione is [C-]#[N+]CCN(CC)C(C)C1CCN(c2ccc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1.
What is the InChIKey of 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione?
The InChIKey is SRZCQSPXZXFWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-5-26(13-11-25-4)16(3)17-10-12-27(14-17)20-9-8-19-21(15(20)2)28(18-6-7-18)23(31)29(24)22(19)30/h8-9,16-18H,5-7,10-14,24H2,1-3H3.
What are the key properties of 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione?
3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione has a molecular weight of 424.55 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-7-[3-[1-[ethyl(2-isocyanoethyl)amino]ethyl]pyrrolidin-1-yl]-8-methylquinazoline-2,4-dione is sourced from PubChem (CID 58944942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).