2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one

C23H23N5O2 — CID 25032717

IUPAC2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C23H23N5O2/c1-13-18-11-19(15-10-14-4-2-3-5-20(14)25-12-15)22(30)28(21(18)27-23(24)26-13)16-6-8-17(29)9-7-16/h2-5,10-12,16-17,29H,6-9H2,1H3,(H2,24,26,27)
InChIKeyNQURIIVRANLTAP-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.37
Rot. Bonds2

About 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 25032717) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID25032717
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C23H23N5O2/c1-13-18-11-19(15-10-14-4-2-3-5-20(14)25-12-15)22(30)28(21(18)27-23(24)26-13)16-6-8-17(29)9-7-16/h2-5,10-12,16-17,29H,6-9H2,1H3,(H2,24,26,27)
InChIKeyNQURIIVRANLTAP-UHFFFAOYSA-N
XLogP3.37
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 25032717) is 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NQURIIVRANLTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-18-11-19(15-10-14-4-2-3-5-20(14)25-12-15)22(30)28(21(18)27-23(24)26-13)16-6-8-17(29)9-7-16/h2-5,10-12,16-17,29H,6-9H2,1H3,(H2,24,26,27).
What are the key properties of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 401.47 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25032717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).