1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine

C15H16N4 — CID 84634646

IUPAC1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
SMILESCNCc1ncc2cc3ccc(C)c(C)c3nc2n1
InChIInChI=1S/C15H16N4/c1-9-4-5-11-6-12-7-17-13(8-16-3)18-15(12)19-14(11)10(9)2/h4-7,16H,8H2,1-3H3
InChIKeyNFSVSJNKLAZOFX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.51
Rot. Bonds2

About 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine

1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine (PubChem CID 84634646) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
PubChem CID84634646
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
SMILESCNCc1ncc2cc3ccc(C)c(C)c3nc2n1
InChIInChI=1S/C15H16N4/c1-9-4-5-11-6-12-7-17-13(8-16-3)18-15(12)19-14(11)10(9)2/h4-7,16H,8H2,1-3H3
InChIKeyNFSVSJNKLAZOFX-UHFFFAOYSA-N
XLogP2.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84629127
2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine
CID 84634645
1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
CID 84635207
2,8-dichloro-9-methylpyrimido[4,5-b]quinoline
CID 84639415
1-(7-methoxyquinazolin-2-yl)-N-methylmethanamine
CID 105455359
1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 84618784
3,7,8-trimethylquinolin-2-amine;hydrochloride
CID 43866004
2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine
CID 84635194
2-(7-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine
CID 82244741
1-(4-chloropyrimidin-2-yl)-N-methylmethanamine
CID 125130391
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
2-bromo-7,8-dimethyl-3-propan-2-ylquinoline
CID 39377154

Frequently Asked Questions

What is the IUPAC name of 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine (CID 84634646) is 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine is CNCc1ncc2cc3ccc(C)c(C)c3nc2n1.
What is the InChIKey of 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine?
The InChIKey is NFSVSJNKLAZOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9-4-5-11-6-12-7-17-13(8-16-3)18-15(12)19-14(11)10(9)2/h4-7,16H,8H2,1-3H3.
What are the key properties of 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine?
1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84634646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).