(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine

C12H9ClN4 — CID 84631736

IUPAC(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine
SMILESNCc1ncc2cc3cccc(Cl)c3nc2n1
InChIInChI=1S/C12H9ClN4/c13-9-3-1-2-7-4-8-6-15-10(5-14)16-12(8)17-11(7)9/h1-4,6H,5,14H2
InChIKeyNMCLOSZBJUHPOX-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.29
Rot. Bonds1

About (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine

(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine (PubChem CID 84631736) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine.

Molecular Properties

Compound Name(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine
PubChem CID84631736
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine
SMILESNCc1ncc2cc3cccc(Cl)c3nc2n1
InChIInChI=1S/C12H9ClN4/c13-9-3-1-2-7-4-8-6-15-10(5-14)16-12(8)17-11(7)9/h1-4,6H,5,14H2
InChIKeyNMCLOSZBJUHPOX-UHFFFAOYSA-N
XLogP2.29
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.29
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

3-(8-chloroquinazolin-2-yl)propan-1-amine
CID 105478668
N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84629127
9-bromo-2-chloropyrimido[4,5-b]quinoline
CID 84644107
(7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84634639
1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine
CID 105497206
8-chloro-3-iodoquinoline
CID 53438635
2-(aminomethyl)-8-chloroquinazolin-4-amine
CID 105462502
2,8-dichloro-9-methylpyrimido[4,5-b]quinoline
CID 84639415
[2-[(2,6-dichlorophenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757848
8-chloro-3-methoxyquinoline
CID 11074271
(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
12-thia-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1(10),2,4,6,8-pentaen-5-ylmethanamine
CID 96598678

Frequently Asked Questions

What is the IUPAC name of (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine?
The IUPAC name of (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine (CID 84631736) is (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine.
What is the SMILES notation for (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine?
The canonical SMILES for (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine is NCc1ncc2cc3cccc(Cl)c3nc2n1.
What is the InChIKey of (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine?
The InChIKey is NMCLOSZBJUHPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-9-3-1-2-7-4-8-6-15-10(5-14)16-12(8)17-11(7)9/h1-4,6H,5,14H2.
What are the key properties of (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine?
(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine has a molecular weight of 244.69 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine is sourced from PubChem (CID 84631736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).