N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide

C25H25N5O3 — CID 169231096

IUPACN-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(-c3cn(C)nc3-c3ccccc3)ncnc2cc1OCC1COC1
InChIInChI=1S/C25H25N5O3/c1-3-23(31)28-21-9-18-20(10-22(21)33-14-16-12-32-13-16)26-15-27-25(18)19-11-30(2)29-24(19)17-7-5-4-6-8-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,28,31)
InChIKeyRRZGDMRYFXYTEN-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.07
Rot. Bonds7

About N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide

N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide (PubChem CID 169231096) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide
PubChem CID169231096
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(-c3cn(C)nc3-c3ccccc3)ncnc2cc1OCC1COC1
InChIInChI=1S/C25H25N5O3/c1-3-23(31)28-21-9-18-20(10-22(21)33-14-16-12-32-13-16)26-15-27-25(18)19-11-30(2)29-24(19)17-7-5-4-6-8-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,28,31)
InChIKeyRRZGDMRYFXYTEN-UHFFFAOYSA-N
XLogP4.07
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide?
The IUPAC name of N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide (CID 169231096) is N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide.
What is the SMILES notation for N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide?
The canonical SMILES for N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide is CCC(=O)Nc1cc2c(-c3cn(C)nc3-c3ccccc3)ncnc2cc1OCC1COC1.
What is the InChIKey of N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide?
The InChIKey is RRZGDMRYFXYTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-3-23(31)28-21-9-18-20(10-22(21)33-14-16-12-32-13-16)26-15-27-25(18)19-11-30(2)29-24(19)17-7-5-4-6-8-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,28,31).
What are the key properties of N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide?
N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide has a molecular weight of 443.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide is sourced from PubChem (CID 169231096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).