4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile

C30H20N6O2 — CID 67318035

IUPAC4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile
SMILESCOc1cccc(-c2nnc(Nc3ccc(Oc4ccnc5cc(C#N)ccc45)cc3)c3ccccc23)n1
InChIInChI=1S/C30H20N6O2/c1-37-28-8-4-7-25(34-28)29-22-5-2-3-6-23(22)30(36-35-29)33-20-10-12-21(13-11-20)38-27-15-16-32-26-17-19(18-31)9-14-24(26)27/h2-17H,1H3,(H,33,36)
InChIKeyJFQLJLOIYFTPEA-UHFFFAOYSA-N
MW496.53 g/mol
LogP6.66
Rot. Bonds6

About 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile

4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile (PubChem CID 67318035) has the molecular formula C30H20N6O2 and a molecular weight of 496.53 g/mol. Its IUPAC name is 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile.

Molecular Properties

Compound Name4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile
PubChem CID67318035
Molecular FormulaC30H20N6O2
Molecular Weight496.53 g/mol
Exact Mass496.16
IUPAC Name4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile
SMILESCOc1cccc(-c2nnc(Nc3ccc(Oc4ccnc5cc(C#N)ccc45)cc3)c3ccccc23)n1
InChIInChI=1S/C30H20N6O2/c1-37-28-8-4-7-25(34-28)29-22-5-2-3-6-23(22)30(36-35-29)33-20-10-12-21(13-11-20)38-27-15-16-32-26-17-19(18-31)9-14-24(26)27/h2-17H,1H3,(H,33,36)
InChIKeyJFQLJLOIYFTPEA-UHFFFAOYSA-N
XLogP6.66
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile with MolForge

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Related Compounds

4-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]quinoline-7-carbonitrile
CID 67317676
4-(6-methoxy-2-pyridinyl)-N-(4-quinolin-4-ylsulfanylphenyl)phthalazin-1-amine
CID 90114157
4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 67318157
4-(4-ethynylphenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 59427332
4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile
CID 67317431
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
N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine
CID 59427352
4-(3-chloro-4-methylphenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 90113865
N-[4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylphthalazin-1-amine
CID 68752591
N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-4-(3-methyl-1,2-oxazol-5-yl)phthalazin-1-amine
CID 90114167
4-(5-fluoro-2-methoxyphenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 90114333

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile?
The IUPAC name of 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile (CID 67318035) is 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile.
What is the SMILES notation for 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile?
The canonical SMILES for 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile is COc1cccc(-c2nnc(Nc3ccc(Oc4ccnc5cc(C#N)ccc45)cc3)c3ccccc23)n1.
What is the InChIKey of 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile?
The InChIKey is JFQLJLOIYFTPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6O2/c1-37-28-8-4-7-25(34-28)29-22-5-2-3-6-23(22)30(36-35-29)33-20-10-12-21(13-11-20)38-27-15-16-32-26-17-19(18-31)9-14-24(26)27/h2-17H,1H3,(H,33,36).
What are the key properties of 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile?
4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile has a molecular weight of 496.53 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(6-methoxy-2-pyridinyl)phthalazin-1-yl]amino]phenoxy]quinoline-7-carbonitrile is sourced from PubChem (CID 67318035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).