2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one

C13H12N4O — CID 136866367

IUPAC2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCCc1cccc2cc3c(=O)[nH]c(N)nc3nc12
InChIInChI=1S/C13H12N4O/c1-2-7-4-3-5-8-6-9-11(15-10(7)8)16-13(14)17-12(9)18/h3-6H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyVFQGMOJVBLEFGP-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.62
Rot. Bonds1

About 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one

2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one (PubChem CID 136866367) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one
PubChem CID136866367
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCCc1cccc2cc3c(=O)[nH]c(N)nc3nc12
InChIInChI=1S/C13H12N4O/c1-2-7-4-3-5-8-6-9-11(15-10(7)8)16-13(14)17-12(9)18/h3-6H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyVFQGMOJVBLEFGP-UHFFFAOYSA-N
XLogP1.62
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine
CID 84640203
3,8-diethylquinolin-2-amine
CID 17039687
8-ethyl-[1,2]oxazolo[5,4-b]quinolin-3-amine
CID 28809292
3,8-diethylquinolin-2-amine;hydrochloride
CID 43866005
8-ethyl-3-methylquinolin-2-amine;hydrochloride
CID 43866070
2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136728596
2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135438441
2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136679439
2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292829
15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one
CID 135513803
3,8-diethyl-N-methylquinolin-2-amine
CID 63232457
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one (CID 136866367) is 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one is CCc1cccc2cc3c(=O)[nH]c(N)nc3nc12.
What is the InChIKey of 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one?
The InChIKey is VFQGMOJVBLEFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-7-4-3-5-8-6-9-11(15-10(7)8)16-13(14)17-12(9)18/h3-6H,2H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one?
2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 136866367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).