N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide

C22H20N4O3 — CID 137296668

IUPACN-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C22H20N4O3/c27-21(10-9-20-24-19-8-2-1-7-18(19)22(28)25-20)26(15-17-6-4-12-29-17)14-16-5-3-11-23-13-16/h1-8,11-13H,9-10,14-15H2,(H,24,25,28)
InChIKeyZBKQDXZUKKEWRE-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.07
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide

N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 137296668) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID137296668
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C22H20N4O3/c27-21(10-9-20-24-19-8-2-1-7-18(19)22(28)25-20)26(15-17-6-4-12-29-17)14-16-5-3-11-23-13-16/h1-8,11-13H,9-10,14-15H2,(H,24,25,28)
InChIKeyZBKQDXZUKKEWRE-UHFFFAOYSA-N
XLogP3.07
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 135993476
N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide
CID 137282635
2-[6-(furan-2-yl)-6-oxohexyl]-3H-quinazolin-4-one
CID 137279052
N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 87045069
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
N-[(4-chlorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135429053
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831714
N-benzyl-N-(furan-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17448524
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 136743264
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99181625
N-benzyl-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 18830847
4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 112812157

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 137296668) is N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is ZBKQDXZUKKEWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-21(10-9-20-24-19-8-2-1-7-18(19)22(28)25-20)26(15-17-6-4-12-29-17)14-16-5-3-11-23-13-16/h1-8,11-13H,9-10,14-15H2,(H,24,25,28).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 137296668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).