2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid

C21H18N4O3 — CID 72697150

IUPAC2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1
InChIInChI=1S/C21H18N4O3/c26-17(27)12-13-6-8-15(9-7-13)23-20-18-16(10-11-22-21(18)28)24-19(25-20)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,22,28)(H,26,27)(H,23,24,25)
InChIKeyBMIMUHWRGBMVCA-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.80
Rot. Bonds5

About 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid

2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid (PubChem CID 72697150) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
PubChem CID72697150
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1
InChIInChI=1S/C21H18N4O3/c26-17(27)12-13-6-8-15(9-7-13)23-20-18-16(10-11-22-21(18)28)24-19(25-20)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,22,28)(H,26,27)(H,23,24,25)
InChIKeyBMIMUHWRGBMVCA-UHFFFAOYSA-N
XLogP2.80
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid (CID 72697150) is 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1.
What is the InChIKey of 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The InChIKey is BMIMUHWRGBMVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-17(27)12-13-6-8-15(9-7-13)23-20-18-16(10-11-22-21(18)28)24-19(25-20)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,22,28)(H,26,27)(H,23,24,25).
What are the key properties of 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid has a molecular weight of 374.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 72697150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).