4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C19H22N6O — CID 56740987

IUPAC4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCc1ccc2cccc(OCCNc3nc(N)nc4c3CCNC4)c2n1
InChIInChI=1S/C19H22N6O/c1-12-5-6-13-3-2-4-16(17(13)23-12)26-10-9-22-18-14-7-8-21-11-15(14)24-19(20)25-18/h2-6,21H,7-11H2,1H3,(H3,20,22,24,25)
InChIKeyDFFIBASZIWQVJS-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.05
Rot. Bonds5

About 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 56740987) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID56740987
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCc1ccc2cccc(OCCNc3nc(N)nc4c3CCNC4)c2n1
InChIInChI=1S/C19H22N6O/c1-12-5-6-13-3-2-4-16(17(13)23-12)26-10-9-22-18-14-7-8-21-11-15(14)24-19(20)25-18/h2-6,21H,7-11H2,1H3,(H3,20,22,24,25)
InChIKeyDFFIBASZIWQVJS-UHFFFAOYSA-N
XLogP2.05
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 56740987) is 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is Cc1ccc2cccc(OCCNc3nc(N)nc4c3CCNC4)c2n1.
What is the InChIKey of 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is DFFIBASZIWQVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-5-6-13-3-2-4-16(17(13)23-12)26-10-9-22-18-14-7-8-21-11-15(14)24-19(20)25-18/h2-6,21H,7-11H2,1H3,(H3,20,22,24,25).
What are the key properties of 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 350.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methylquinolin-8-yl)oxyethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56740987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).