3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide

C25H25N5O2 — CID 24891700

IUPAC3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide
SMILESCOCCC(=O)N[C@@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C25H25N5O2/c1-17(28-24(31)11-14-32-2)18-3-6-22(7-4-18)29-25-27-16-21-15-20(5-8-23(21)30-25)19-9-12-26-13-10-19/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,28,31)(H,27,29,30)/t17-/m0/s1
InChIKeyIDMVTOZYZLLLTD-KRWDZBQOSA-N
MW427.51 g/mol
LogP4.65
Rot. Bonds8

About 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide

3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide (PubChem CID 24891700) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide
PubChem CID24891700
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide
SMILESCOCCC(=O)N[C@@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C25H25N5O2/c1-17(28-24(31)11-14-32-2)18-3-6-22(7-4-18)29-25-27-16-21-15-20(5-8-23(21)30-25)19-9-12-26-13-10-19/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,28,31)(H,27,29,30)/t17-/m0/s1
InChIKeyIDMVTOZYZLLLTD-KRWDZBQOSA-N
XLogP4.65
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 24963046
1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
1-Phenyl-3-(2-(pyridin-3-yl)quinazolin-4-yl)urea
CID 10688595
N-(2-Methoxyethyl)-4-[(6-Pyridin-4-Ylquinazolin-2-Yl)amino]benzamide
CID 24891645
3-[3-(2-Aminoquinazolin-6-yl)-4-methylphenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 25138149
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
CID 134812662
9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350806
ATM Inhibitor-2
CID 163286323
N-(4-methylphenyl)-2-pyridin-4-yl-4-quinazolinamine
CID 748627

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide?
The IUPAC name of 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide (CID 24891700) is 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide is COCCC(=O)N[C@@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide?
The InChIKey is IDMVTOZYZLLLTD-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17(28-24(31)11-14-32-2)18-3-6-22(7-4-18)29-25-27-16-21-15-20(5-8-23(21)30-25)19-9-12-26-13-10-19/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,28,31)(H,27,29,30)/t17-/m0/s1.
What are the key properties of 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide?
3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide has a molecular weight of 427.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]propanamide is sourced from PubChem (CID 24891700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).