N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C21H18N4O3 — CID 121196726

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C21H18N4O3/c26-20(7-9-25-14-24-19-4-2-1-3-17(19)21(25)27)23-12-15-5-6-18(22-11-15)16-8-10-28-13-16/h1-6,8,10-11,13-14H,7,9,12H2,(H,23,26)
InChIKeyQSQKAXUMIYGUPL-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.76
Rot. Bonds6

About N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 121196726) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID121196726
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C21H18N4O3/c26-20(7-9-25-14-24-19-4-2-1-3-17(19)21(25)27)23-12-15-5-6-18(22-11-15)16-8-10-28-13-16/h1-6,8,10-11,13-14H,7,9,12H2,(H,23,26)
InChIKeyQSQKAXUMIYGUPL-UHFFFAOYSA-N
XLogP2.76
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55729811
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
2-(1,2-benzoxazol-3-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 119105233
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122263906
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55694713
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526

Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 121196726) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(-c2ccoc2)nc1.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is QSQKAXUMIYGUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-20(7-9-25-14-24-19-4-2-1-3-17(19)21(25)27)23-12-15-5-6-18(22-11-15)16-8-10-28-13-16/h1-6,8,10-11,13-14H,7,9,12H2,(H,23,26).
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 374.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 121196726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).