3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide

C24H23N5O2 — CID 24891699

IUPAC3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide
SMILESCOCCC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-29(23(30)11-14-31-2)21-6-4-20(5-7-21)27-24-26-16-19-15-18(3-8-22(19)28-24)17-9-12-25-13-10-17/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,26,27,28)
InChIKeyMFQLVAIMTGXBSE-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.43
Rot. Bonds7

About 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide

3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide (PubChem CID 24891699) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide
PubChem CID24891699
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide
SMILESCOCCC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-29(23(30)11-14-31-2)21-6-4-20(5-7-21)27-24-26-16-19-15-18(3-8-22(19)28-24)17-9-12-25-13-10-17/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,26,27,28)
InChIKeyMFQLVAIMTGXBSE-UHFFFAOYSA-N
XLogP4.43
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide?
The IUPAC name of 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide (CID 24891699) is 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide is COCCC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide?
The InChIKey is MFQLVAIMTGXBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-29(23(30)11-14-31-2)21-6-4-20(5-7-21)27-24-26-16-19-15-18(3-8-22(19)28-24)17-9-12-25-13-10-17/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,26,27,28).
What are the key properties of 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide?
3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide has a molecular weight of 413.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]propanamide is sourced from PubChem (CID 24891699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).