8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C22H25N5O4 — CID 46869245

IUPAC8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCc1cccc(-c2nc(N3CCOCC3)nc3c(N(C)C)cc(C(=O)O)nc23)c1
InChIInChI=1S/C22H25N5O4/c1-26(2)17-12-16(21(28)29)23-20-18(15-6-4-5-14(11-15)13-30-3)24-22(25-19(17)20)27-7-9-31-10-8-27/h4-6,11-12H,7-10,13H2,1-3H3,(H,28,29)
InChIKeyVXTQEWXCKRUQLK-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.44
Rot. Bonds6

About 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869245) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869245
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCc1cccc(-c2nc(N3CCOCC3)nc3c(N(C)C)cc(C(=O)O)nc23)c1
InChIInChI=1S/C22H25N5O4/c1-26(2)17-12-16(21(28)29)23-20-18(15-6-4-5-14(11-15)13-30-3)24-22(25-19(17)20)27-7-9-31-10-8-27/h4-6,11-12H,7-10,13H2,1-3H3,(H,28,29)
InChIKeyVXTQEWXCKRUQLK-UHFFFAOYSA-N
XLogP2.44
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid 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 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869245) is 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is COCc1cccc(-c2nc(N3CCOCC3)nc3c(N(C)C)cc(C(=O)O)nc23)c1.
What is the InChIKey of 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is VXTQEWXCKRUQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-26(2)17-12-16(21(28)29)23-20-18(15-6-4-5-14(11-15)13-30-3)24-22(25-19(17)20)27-7-9-31-10-8-27/h4-6,11-12H,7-10,13H2,1-3H3,(H,28,29).
What are the key properties of 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 423.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).