3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one

C21H24N6O2 — CID 23293023

IUPAC3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccccc4NCCOC)ncnc3cc21
InChIInChI=1S/C21H24N6O2/c1-3-27-19-11-17-15(10-18(19)26-21(27)28)20(25-13-24-17)23-12-14-6-4-5-7-16(14)22-8-9-29-2/h4-7,10-11,13,22H,3,8-9,12H2,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyKHICUTYQKJKCDY-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.96
Rot. Bonds8

About 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one

3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one (PubChem CID 23293023) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
PubChem CID23293023
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccccc4NCCOC)ncnc3cc21
InChIInChI=1S/C21H24N6O2/c1-3-27-19-11-17-15(10-18(19)26-21(27)28)20(25-13-24-17)23-12-14-6-4-5-7-16(14)22-8-9-29-2/h4-7,10-11,13,22H,3,8-9,12H2,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyKHICUTYQKJKCDY-UHFFFAOYSA-N
XLogP2.96
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
The IUPAC name of 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one (CID 23293023) is 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
The canonical SMILES for 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one is CCn1c(=O)[nH]c2cc3c(NCc4ccccc4NCCOC)ncnc3cc21.
What is the InChIKey of 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
The InChIKey is KHICUTYQKJKCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-3-27-19-11-17-15(10-18(19)26-21(27)28)20(25-13-24-17)23-12-14-6-4-5-7-16(14)22-8-9-29-2/h4-7,10-11,13,22H,3,8-9,12H2,1-2H3,(H,26,28)(H,23,24,25).
What are the key properties of 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 23293023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).