N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine

C32H26N6O3 — CID 90114165

IUPACN-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(-c5ccc6c(c5)OCCN6C)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C32H26N6O3/c1-38-15-16-40-29-17-20(7-12-27(29)38)30-24-5-3-4-6-25(24)32(37-36-30)35-21-8-10-22(11-9-21)41-28-13-14-33-26-18-23(39-2)19-34-31(26)28/h3-14,17-19H,15-16H2,1-2H3,(H,35,37)
InChIKeyGLRJOQIPWUFUOR-UHFFFAOYSA-N
MW542.60 g/mol
LogP6.61
Rot. Bonds6

About N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine

N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine (PubChem CID 90114165) has the molecular formula C32H26N6O3 and a molecular weight of 542.60 g/mol. Its IUPAC name is N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine
PubChem CID90114165
Molecular FormulaC32H26N6O3
Molecular Weight542.60 g/mol
Exact Mass542.21
IUPAC NameN-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine
SMILESCOc1cnc2c(Oc3ccc(Nc4nnc(-c5ccc6c(c5)OCCN6C)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C32H26N6O3/c1-38-15-16-40-29-17-20(7-12-27(29)38)30-24-5-3-4-6-25(24)32(37-36-30)35-21-8-10-22(11-9-21)41-28-13-14-33-26-18-23(39-2)19-34-31(26)28/h3-14,17-19H,15-16H2,1-2H3,(H,35,37)
InChIKeyGLRJOQIPWUFUOR-UHFFFAOYSA-N
XLogP6.61
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.60
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine 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 N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine?
The IUPAC name of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine (CID 90114165) is N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine.
What is the SMILES notation for N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine?
The canonical SMILES for N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine is COc1cnc2c(Oc3ccc(Nc4nnc(-c5ccc6c(c5)OCCN6C)c5ccccc45)cc3)ccnc2c1.
What is the InChIKey of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine?
The InChIKey is GLRJOQIPWUFUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6O3/c1-38-15-16-40-29-17-20(7-12-27(29)38)30-24-5-3-4-6-25(24)32(37-36-30)35-21-8-10-22(11-9-21)41-28-13-14-33-26-18-23(39-2)19-34-31(26)28/h3-14,17-19H,15-16H2,1-2H3,(H,35,37).
What are the key properties of N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine?
N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine has a molecular weight of 542.60 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phthalazin-1-amine is sourced from PubChem (CID 90114165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).