3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one

C22H18N4O — CID 174799439

IUPAC3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one
SMILESO=C(CCc1cccnc1)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C22H18N4O/c27-21(12-7-16-4-3-13-23-14-16)17-8-10-18(11-9-17)26-22-19-5-1-2-6-20(19)24-15-25-22/h1-6,8-11,13-15H,7,12H2,(H,24,25,26)
InChIKeyCLBKUJZVODCWMK-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.58
Rot. Bonds6

About 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one

3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one (PubChem CID 174799439) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one
PubChem CID174799439
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one
SMILESO=C(CCc1cccnc1)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C22H18N4O/c27-21(12-7-16-4-3-13-23-14-16)17-8-10-18(11-9-17)26-22-19-5-1-2-6-20(19)24-15-25-22/h1-6,8-11,13-15H,7,12H2,(H,24,25,26)
InChIKeyCLBKUJZVODCWMK-UHFFFAOYSA-N
XLogP4.58
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-3-ylquinazolin-4-amine
CID 5328017
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
CID 2501443
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide
CID 58327733
4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate
CID 6984765
N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide
CID 110436285
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone
CID 53305872
N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
CID 10155407

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one?
The IUPAC name of 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one (CID 174799439) is 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one.
What is the SMILES notation for 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one?
The canonical SMILES for 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one is O=C(CCc1cccnc1)c1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one?
The InChIKey is CLBKUJZVODCWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-21(12-7-16-4-3-13-23-14-16)17-8-10-18(11-9-17)26-22-19-5-1-2-6-20(19)24-15-25-22/h1-6,8-11,13-15H,7,12H2,(H,24,25,26).
What are the key properties of 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one?
3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one has a molecular weight of 354.41 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one is sourced from PubChem (CID 174799439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).