N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide

C21H24N4O3 — CID 9403212

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NC[C@@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C21H24N4O3/c26-20(14-25-15-23-17-8-3-2-7-16(17)21(25)27)22-13-18(19-9-6-12-28-19)24-10-4-1-5-11-24/h2-3,6-9,12,15,18H,1,4-5,10-11,13-14H2,(H,22,26)/t18-/m0/s1
InChIKeyNRFBQJXWOMTZIL-SFHVURJKSA-N
MW380.45 g/mol
LogP2.33
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 9403212) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID9403212
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NC[C@@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C21H24N4O3/c26-20(14-25-15-23-17-8-3-2-7-16(17)21(25)27)22-13-18(19-9-6-12-28-19)24-10-4-1-5-11-24/h2-3,6-9,12,15,18H,1,4-5,10-11,13-14H2,(H,22,26)/t18-/m0/s1
InChIKeyNRFBQJXWOMTZIL-SFHVURJKSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9400351
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 47004561
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide
CID 122642929
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 43003526
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 30591769
2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969226
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41411599
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580
N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride
CID 3053772
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 92614239

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 9403212) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)NC[C@@H](c1ccco1)N1CCCCC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NRFBQJXWOMTZIL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20(14-25-15-23-17-8-3-2-7-16(17)21(25)27)22-13-18(19-9-6-12-28-19)24-10-4-1-5-11-24/h2-3,6-9,12,15,18H,1,4-5,10-11,13-14H2,(H,22,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 9403212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).