6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C20H21N7O2 — CID 136862318

IUPAC6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCc4ccc(N5CCOCC5)cc4)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C20H21N7O2/c21-19-23-15-10-17-16(9-14(15)18(28)26-19)24-20(25-17)22-11-12-1-3-13(4-2-12)27-5-7-29-8-6-27/h1-4,9-10H,5-8,11H2,(H2,22,24,25)(H3,21,23,26,28)
InChIKeyOYYJPRKBPPJPCX-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.83
Rot. Bonds4

About 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 136862318) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID136862318
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCc4ccc(N5CCOCC5)cc4)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C20H21N7O2/c21-19-23-15-10-17-16(9-14(15)18(28)26-19)24-20(25-17)22-11-12-1-3-13(4-2-12)27-5-7-29-8-6-27/h1-4,9-10H,5-8,11H2,(H2,22,24,25)(H3,21,23,26,28)
InChIKeyOYYJPRKBPPJPCX-UHFFFAOYSA-N
XLogP1.83
TPSA124.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one with MolForge

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

Launch Full Analysis

Related Compounds

6-amino-2-(2-morpholin-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 135566918
4-[2-[(6-amino-8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-2-yl)amino]ethyl]benzonitrile
CID 135566933
2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136501828
2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one
CID 140904912
6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133338821
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53174881
N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine
CID 107588098
4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methylamino]benzaldehyde
CID 137084033

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 136862318) is 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Nc1nc2cc3nc(NCc4ccc(N5CCOCC5)cc4)[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is OYYJPRKBPPJPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c21-19-23-15-10-17-16(9-14(15)18(28)26-19)24-20(25-17)22-11-12-1-3-13(4-2-12)27-5-7-29-8-6-27/h1-4,9-10H,5-8,11H2,(H2,22,24,25)(H3,21,23,26,28).
What are the key properties of 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 391.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 136862318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).