5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one

C19H19N5O — CID 134096041

IUPAC5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one
SMILESCN(C)CCNc1nc2nc3ccccc3c(=O)n2c2ccccc12
InChIInChI=1S/C19H19N5O/c1-23(2)12-11-20-17-14-8-4-6-10-16(14)24-18(25)13-7-3-5-9-15(13)21-19(24)22-17/h3-10H,11-12H2,1-2H3,(H,20,21,22)
InChIKeyPVUWQPADDGDCMD-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.37
Rot. Bonds4

About 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one

5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one (PubChem CID 134096041) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one
PubChem CID134096041
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one
SMILESCN(C)CCNc1nc2nc3ccccc3c(=O)n2c2ccccc12
InChIInChI=1S/C19H19N5O/c1-23(2)12-11-20-17-14-8-4-6-10-16(14)24-18(25)13-7-3-5-9-15(13)21-19(24)22-17/h3-10H,11-12H2,1-2H3,(H,20,21,22)
InChIKeyPVUWQPADDGDCMD-UHFFFAOYSA-N
XLogP2.37
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-anilinoquinazolino[2,1-b]quinazolin-12-one
CID 11393590
5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one
CID 11152144
5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one
CID 11223312
2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
CID 95266323
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
10-[2-(dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;dihydrochloride
CID 14510158
2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one
CID 53368642
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 121205342
ethane;8-(methylamino)-1,3,9,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-2(7),3,5,8,10,12,14,16-octaen-18-one
CID 91354060

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one (CID 134096041) is 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one is CN(C)CCNc1nc2nc3ccccc3c(=O)n2c2ccccc12.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one?
The InChIKey is PVUWQPADDGDCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23(2)12-11-20-17-14-8-4-6-10-16(14)24-18(25)13-7-3-5-9-15(13)21-19(24)22-17/h3-10H,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one?
5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one has a molecular weight of 333.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 134096041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).