N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide

C29H23F2N5O6 — CID 156759193

IUPACN-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ncnc3cc(OC)c4c(c23)OCCO4)c(F)c1
InChIInChI=1S/C29H23F2N5O6/c1-15-10-16(30)4-6-20(15)36-13-23(39-3)25(35-36)28(37)34-17-5-7-21(18(31)11-17)42-29-24-19(32-14-33-29)12-22(38-2)26-27(24)41-9-8-40-26/h4-7,10-14H,8-9H2,1-3H3,(H,34,37)
InChIKeyQAGCZCSSGFXEGO-UHFFFAOYSA-N
MW575.53 g/mol
LogP5.24
Rot. Bonds7

About N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide

N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 156759193) has the molecular formula C29H23F2N5O6 and a molecular weight of 575.53 g/mol. Its IUPAC name is N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID156759193
Molecular FormulaC29H23F2N5O6
Molecular Weight575.53 g/mol
Exact Mass575.16
IUPAC NameN-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ncnc3cc(OC)c4c(c23)OCCO4)c(F)c1
InChIInChI=1S/C29H23F2N5O6/c1-15-10-16(30)4-6-20(15)36-13-23(39-3)25(35-36)28(37)34-17-5-7-21(18(31)11-17)42-29-24-19(32-14-33-29)12-22(38-2)26-27(24)41-9-8-40-26/h4-7,10-14H,8-9H2,1-3H3,(H,34,37)
InChIKeyQAGCZCSSGFXEGO-UHFFFAOYSA-N
XLogP5.24
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide (CID 156759193) is N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ncnc3cc(OC)c4c(c23)OCCO4)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is QAGCZCSSGFXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N5O6/c1-15-10-16(30)4-6-20(15)36-13-23(39-3)25(35-36)28(37)34-17-5-7-21(18(31)11-17)42-29-24-19(32-14-33-29)12-22(38-2)26-27(24)41-9-8-40-26/h4-7,10-14H,8-9H2,1-3H3,(H,34,37).
What are the key properties of N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide?
N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 575.53 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluoro-2-methylphenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 156759193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).