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

C19H20N6O — CID 15480528

IUPAC3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccc(NC)cc4)ncnc3cc21
InChIInChI=1S/C19H20N6O/c1-3-25-17-9-15-14(8-16(17)24-19(25)26)18(23-11-22-15)21-10-12-4-6-13(20-2)7-5-12/h4-9,11,20H,3,10H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyQCTNGDVTDXAJGS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.95
Rot. Bonds5

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

3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one (PubChem CID 15480528) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
PubChem CID15480528
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccc(NC)cc4)ncnc3cc21
InChIInChI=1S/C19H20N6O/c1-3-25-17-9-15-14(8-16(17)24-19(25)26)18(23-11-22-15)21-10-12-4-6-13(20-2)7-5-12/h4-9,11,20H,3,10H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyQCTNGDVTDXAJGS-UHFFFAOYSA-N
XLogP2.95
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
The IUPAC name of 3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one (CID 15480528) is 3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
The canonical SMILES for 3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one is CCn1c(=O)[nH]c2cc3c(NCc4ccc(NC)cc4)ncnc3cc21.
What is the InChIKey of 3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
The InChIKey is QCTNGDVTDXAJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-3-25-17-9-15-14(8-16(17)24-19(25)26)18(23-11-22-15)21-10-12-4-6-13(20-2)7-5-12/h4-9,11,20H,3,10H2,1-2H3,(H,24,26)(H,21,22,23).
What are the key properties of 3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one has a molecular weight of 348.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 15480528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).