N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

C21H24N4O3 — CID 644713

IUPACN-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESO=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NCc1ccco1
InChIInChI=1S/C21H24N4O3/c26-20(22-13-16-7-6-12-28-16)15-25-19(14-24-10-4-1-5-11-24)23-18-9-3-2-8-17(18)21(25)27/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,22,26)
InChIKeySPGCCNMRPRSTMY-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.29
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (PubChem CID 644713) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
PubChem CID644713
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
SMILESO=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NCc1ccco1
InChIInChI=1S/C21H24N4O3/c26-20(22-13-16-7-6-12-28-16)15-25-19(14-24-10-4-1-5-11-24)23-18-9-3-2-8-17(18)21(25)27/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,22,26)
InChIKeySPGCCNMRPRSTMY-UHFFFAOYSA-N
XLogP2.29
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4(3H)-Quinazolinone, 3-furfuryl-2-methyl-
CID 64027
3-(2-Ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 11559627
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
N-Benzyl-1-(2-furylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 661575
1-Furan-2-ylmethyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid phenethyl-amide
CID 1077343
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
CID 683379
3-[1-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-furylmethyl)propanamide
CID 3242228
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 9204530
(2E)-3-(2-furyl)-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)acrylamide
CID 16193590
2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide (CID 644713) is N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
The InChIKey is SPGCCNMRPRSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20(22-13-16-7-6-12-28-16)15-25-19(14-24-10-4-1-5-11-24)23-18-9-3-2-8-17(18)21(25)27/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,22,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 644713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).