2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine

C15H17N5 — CID 84640458

IUPAC2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine
SMILESCCc1ccc2nc3nc(CCN)nc(N)c3cc2c1
InChIInChI=1S/C15H17N5/c1-2-9-3-4-12-10(7-9)8-11-14(17)19-13(5-6-16)20-15(11)18-12/h3-4,7-8H,2,5-6,16H2,1H3,(H2,17,18,19,20)
InChIKeySIQFXYRFNSSHPT-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine

2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine (PubChem CID 84640458) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine
PubChem CID84640458
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine
SMILESCCc1ccc2nc3nc(CCN)nc(N)c3cc2c1
InChIInChI=1S/C15H17N5/c1-2-9-3-4-12-10(7-9)8-11-14(17)19-13(5-6-16)20-15(11)18-12/h3-4,7-8H,2,5-6,16H2,1H3,(H2,17,18,19,20)
InChIKeySIQFXYRFNSSHPT-UHFFFAOYSA-N
XLogP1.82
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-7-methylpyrimido[4,5-b]quinolin-4-amine
CID 84629410
2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine
CID 84636488
7-methyl-2-(methylaminomethyl)pyrimido[4,5-b]quinolin-4-amine
CID 84634913
6-ethylquinolin-2-amine
CID 58257790
3-(4-aminopyrimido[4,5-b]quinolin-2-yl)propanoic acid
CID 84640677
2-(2-aminoethyl)-7-methoxyquinazolin-4-amine
CID 105472508
2-ethyl-6,8-dimethylpyrimido[4,5-b]quinolin-4-amine
CID 84634653
3-ethyl-6-propylquinolin-2-amine
CID 63231939
3,6-diethylquinoline
CID 82111628
6-ethyl-1H-pyrazolo[5,4-b]quinoline
CID 865231
methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
CID 855651
(6-ethyl-2-piperidin-1-ylquinolin-3-yl)methanamine
CID 20983432

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine (CID 84640458) is 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine is CCc1ccc2nc3nc(CCN)nc(N)c3cc2c1.
What is the InChIKey of 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine?
The InChIKey is SIQFXYRFNSSHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-9-3-4-12-10(7-9)8-11-14(17)19-13(5-6-16)20-15(11)18-12/h3-4,7-8H,2,5-6,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine?
2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 84640458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).