1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea

C24H21N5O6 — CID 146403743

IUPAC1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c5c(c34)OCCO5)cc2)ccn1
InChIInChI=1S/C24H21N5O6/c1-31-18-12-17-20(22-21(18)33-9-10-34-22)23(27-13-26-17)35-16-5-3-14(4-6-16)28-24(30)29-15-7-8-25-19(11-15)32-2/h3-8,11-13H,9-10H2,1-2H3,(H2,25,28,29,30)
InChIKeyFALKRMALMYZZJE-UHFFFAOYSA-N
MW475.46 g/mol
LogP4.25
Rot. Bonds6

About 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea

1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea (PubChem CID 146403743) has the molecular formula C24H21N5O6 and a molecular weight of 475.46 g/mol. Its IUPAC name is 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea
PubChem CID146403743
Molecular FormulaC24H21N5O6
Molecular Weight475.46 g/mol
Exact Mass475.15
IUPAC Name1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c5c(c34)OCCO5)cc2)ccn1
InChIInChI=1S/C24H21N5O6/c1-31-18-12-17-20(22-21(18)33-9-10-34-22)23(27-13-26-17)35-16-5-3-14(4-6-16)28-24(30)29-15-7-8-25-19(11-15)32-2/h3-8,11-13H,9-10H2,1-2H3,(H2,25,28,29,30)
InChIKeyFALKRMALMYZZJE-UHFFFAOYSA-N
XLogP4.25
TPSA125.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea?
The IUPAC name of 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea (CID 146403743) is 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea.
What is the SMILES notation for 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea?
The canonical SMILES for 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea is COc1cc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c5c(c34)OCCO5)cc2)ccn1.
What is the InChIKey of 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea?
The InChIKey is FALKRMALMYZZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O6/c1-31-18-12-17-20(22-21(18)33-9-10-34-22)23(27-13-26-17)35-16-5-3-14(4-6-16)28-24(30)29-15-7-8-25-19(11-15)32-2/h3-8,11-13H,9-10H2,1-2H3,(H2,25,28,29,30).
What are the key properties of 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea?
1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea has a molecular weight of 475.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea is sourced from PubChem (CID 146403743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).