5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one

C22H24N6O2 — CID 164903285

IUPAC5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one
SMILESCc1cc2ncccc2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C
InChIInChI=1S/C22H24N6O2/c1-14-10-18-15(4-3-7-23-18)11-17(14)25-22-24-12-19-21(26-22)28(13-20(29)27(19)2)16-5-8-30-9-6-16/h3-4,7,10-12,16H,5-6,8-9,13H2,1-2H3,(H,24,25,26)
InChIKeyZTHNHKCWJYWJMT-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.04
Rot. Bonds3

About 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one

5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one (PubChem CID 164903285) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one
PubChem CID164903285
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one
SMILESCc1cc2ncccc2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C
InChIInChI=1S/C22H24N6O2/c1-14-10-18-15(4-3-7-23-18)11-17(14)25-22-24-12-19-21(26-22)28(13-20(29)27(19)2)16-5-8-30-9-6-16/h3-4,7,10-12,16H,5-6,8-9,13H2,1-2H3,(H,24,25,26)
InChIKeyZTHNHKCWJYWJMT-UHFFFAOYSA-N
XLogP3.04
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one?
The IUPAC name of 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one (CID 164903285) is 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one.
What is the SMILES notation for 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one?
The canonical SMILES for 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one is Cc1cc2ncccc2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C.
What is the InChIKey of 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one?
The InChIKey is ZTHNHKCWJYWJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-10-18-15(4-3-7-23-18)11-17(14)25-22-24-12-19-21(26-22)28(13-20(29)27(19)2)16-5-8-30-9-6-16/h3-4,7,10-12,16H,5-6,8-9,13H2,1-2H3,(H,24,25,26).
What are the key properties of 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one?
5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one has a molecular weight of 404.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(7-methylquinolin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one is sourced from PubChem (CID 164903285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).