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

C24H25N5O3 — CID 71602576

IUPAC2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(OCO)CC1
InChIInChI=1S/C24H25N5O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)26-12-16)23(31)29(22(19)28-24(25)27-14)17-6-8-18(9-7-17)32-13-30/h2-5,10-12,17-18,30H,6-9,13H2,1H3,(H2,25,27,28)
InChIKeySUGLTXJBYXYKFN-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.35
Rot. Bonds4

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

2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 71602576) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID71602576
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(OCO)CC1
InChIInChI=1S/C24H25N5O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)26-12-16)23(31)29(22(19)28-24(25)27-14)17-6-8-18(9-7-17)32-13-30/h2-5,10-12,17-18,30H,6-9,13H2,1H3,(H2,25,27,28)
InChIKeySUGLTXJBYXYKFN-UHFFFAOYSA-N
XLogP3.35
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 71602576) is 2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(OCO)CC1.
What is the InChIKey of 2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SUGLTXJBYXYKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)26-12-16)23(31)29(22(19)28-24(25)27-14)17-6-8-18(9-7-17)32-13-30/h2-5,10-12,17-18,30H,6-9,13H2,1H3,(H2,25,27,28).
What are the key properties of 2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 431.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[4-(hydroxymethoxy)cyclohexyl]-4-methyl-6-quinolin-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71602576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).