N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine

C14H14N4 — CID 84629127

IUPACN-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine
SMILESCNCc1ncc2cc3cccc(C)c3nc2n1
InChIInChI=1S/C14H14N4/c1-9-4-3-5-10-6-11-7-16-12(8-15-2)17-14(11)18-13(9)10/h3-7,15H,8H2,1-2H3
InChIKeyWQFYLPRSTQMAFL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.21
Rot. Bonds2

About N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine

N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine (PubChem CID 84629127) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine
PubChem CID84629127
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine
SMILESCNCc1ncc2cc3cccc(C)c3nc2n1
InChIInChI=1S/C14H14N4/c1-9-4-3-5-10-6-11-7-16-12(8-15-2)17-14(11)18-13(9)10/h3-7,15H,8H2,1-2H3
InChIKeyWQFYLPRSTQMAFL-UHFFFAOYSA-N
XLogP2.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.21
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

1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
CID 84634646
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
(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84631736
2-chloro-8-methylquinazoline
CID 53416811
28-methyl-31-azaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20,22(32),23,25,27,29-octadecaene
CID 171043793
8-methyl-2-(methylamino)quinoline-3-carbonitrile
CID 84619490
2-ethyl-3,8-dimethylquinoline
CID 15469653
1-(7-methoxyquinazolin-2-yl)-N-methylmethanamine
CID 105455359
6,9-dimethylpyrimido[4,5-b]quinolin-2-amine
CID 84624592
8-methylquinazolin-2-amine;molecular hydrogen
CID 142590391
N-methyl-1-(8-propan-2-ylquinolin-3-yl)methanamine
CID 82241794

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine (CID 84629127) is N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine is CNCc1ncc2cc3cccc(C)c3nc2n1.
What is the InChIKey of N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine?
The InChIKey is WQFYLPRSTQMAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-4-3-5-10-6-11-7-16-12(8-15-2)17-14(11)18-13(9)10/h3-7,15H,8H2,1-2H3.
What are the key properties of N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine?
N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine is sourced from PubChem (CID 84629127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).