N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine

C31H24N4O — CID 59427352

IUPACN-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine
SMILESCOc1ccc2c(Cc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C31H24N4O/c1-36-25-15-16-26-23(17-18-32-29(26)20-25)19-21-11-13-24(14-12-21)33-31-28-10-6-5-9-27(28)30(34-35-31)22-7-3-2-4-8-22/h2-18,20H,19H2,1H3,(H,33,35)
InChIKeySTBNFPCZXRNPRJ-UHFFFAOYSA-N
MW468.56 g/mol
LogP7.19
Rot. Bonds6

About N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine

N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine (PubChem CID 59427352) has the molecular formula C31H24N4O and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine
PubChem CID59427352
Molecular FormulaC31H24N4O
Molecular Weight468.56 g/mol
Exact Mass468.20
IUPAC NameN-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine
SMILESCOc1ccc2c(Cc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3)ccnc2c1
InChIInChI=1S/C31H24N4O/c1-36-25-15-16-26-23(17-18-32-29(26)20-25)19-21-11-13-24(14-12-21)33-31-28-10-6-5-9-27(28)30(34-35-31)22-7-3-2-4-8-22/h2-18,20H,19H2,1H3,(H,33,35)
InChIKeySTBNFPCZXRNPRJ-UHFFFAOYSA-N
XLogP7.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(7-methoxy-1,5-naphthyridin-4-yl)-4-N-(4-phenylphthalazin-1-yl)benzene-1,4-diamine
CID 59427298
4-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]quinoline-7-carbonitrile
CID 67317676
3-[4-[(7-methoxyquinolin-4-yl)methyl]anilino]propan-1-ol
CID 142073498
4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
CID 1417554
4-(4-ethynylphenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 59427332
N-[5-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
CID 59427353
4-(6-chloro-3-pyridinyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 25098487
N-[4-(5,7-difluoroquinolin-4-yl)oxyphenyl]-4-phenylphthalazin-1-amine
CID 67316188
1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
CID 66731672
4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
CID 3657451
4-(3-chloro-4-methylphenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 90113865
4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile
CID 67317431

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine?
The IUPAC name of N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine (CID 59427352) is N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine?
The canonical SMILES for N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine is COc1ccc2c(Cc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3)ccnc2c1.
What is the InChIKey of N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine?
The InChIKey is STBNFPCZXRNPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O/c1-36-25-15-16-26-23(17-18-32-29(26)20-25)19-21-11-13-24(14-12-21)33-31-28-10-6-5-9-27(28)30(34-35-31)22-7-3-2-4-8-22/h2-18,20H,19H2,1H3,(H,33,35).
What are the key properties of N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine?
N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine has a molecular weight of 468.56 g/mol, XLogP of 7.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine is sourced from PubChem (CID 59427352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).