2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline

C41H30N6O3 — CID 91104422

IUPAC2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline
SMILESCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2OC)cc1COc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1
InChIInChI=1S/C41H30N6O3/c1-48-35-19-16-27(39-36(49-2)20-17-33(45-39)40-42-23-28-12-6-8-14-31(28)46-40)22-30(35)25-50-37-21-18-34(44-38(37)26-10-4-3-5-11-26)41-43-24-29-13-7-9-15-32(29)47-41/h3-24H,25H2,1-2H3
InChIKeyNFKCAYMZAUXQAX-UHFFFAOYSA-N
MW654.73 g/mol
LogP8.63
Rot. Bonds9

About 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline

2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline (PubChem CID 91104422) has the molecular formula C41H30N6O3 and a molecular weight of 654.73 g/mol. Its IUPAC name is 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline
PubChem CID91104422
Molecular FormulaC41H30N6O3
Molecular Weight654.73 g/mol
Exact Mass654.24
IUPAC Name2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline
SMILESCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2OC)cc1COc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1
InChIInChI=1S/C41H30N6O3/c1-48-35-19-16-27(39-36(49-2)20-17-33(45-39)40-42-23-28-12-6-8-14-31(28)46-40)22-30(35)25-50-37-21-18-34(44-38(37)26-10-4-3-5-11-26)41-43-24-29-13-7-9-15-32(29)47-41/h3-24H,25H2,1-2H3
InChIKeyNFKCAYMZAUXQAX-UHFFFAOYSA-N
XLogP8.63
TPSA105.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline?
The IUPAC name of 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline (CID 91104422) is 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline is COc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2OC)cc1COc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1.
What is the InChIKey of 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline?
The InChIKey is NFKCAYMZAUXQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N6O3/c1-48-35-19-16-27(39-36(49-2)20-17-33(45-39)40-42-23-28-12-6-8-14-31(28)46-40)22-30(35)25-50-37-21-18-34(44-38(37)26-10-4-3-5-11-26)41-43-24-29-13-7-9-15-32(29)47-41/h3-24H,25H2,1-2H3.
What are the key properties of 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline?
2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline has a molecular weight of 654.73 g/mol, XLogP of 8.63, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-6-[4-methoxy-3-[(2-phenyl-6-quinazolin-2-yl-3-pyridinyl)oxymethyl]phenyl]-2-pyridinyl]quinazoline is sourced from PubChem (CID 91104422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).