[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C19H19N3O5 — CID 135700118

IUPAC[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESC[C@@H](NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccco1
InChIInChI=1S/C19H19N3O5/c1-12(15-7-4-10-26-15)20-17(23)11-27-18(24)9-8-16-21-14-6-3-2-5-13(14)19(25)22-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)(H,21,22,25)/t12-/m1/s1
InChIKeyZSBRJWOBHZKTLR-GFCCVEGCSA-N
MW369.38 g/mol
LogP1.87
Rot. Bonds7

About [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135700118) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135700118
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESC[C@@H](NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccco1
InChIInChI=1S/C19H19N3O5/c1-12(15-7-4-10-26-15)20-17(23)11-27-18(24)9-8-16-21-14-6-3-2-5-13(14)19(25)22-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)(H,21,22,25)/t12-/m1/s1
InChIKeyZSBRJWOBHZKTLR-GFCCVEGCSA-N
XLogP1.87
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
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[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135560856
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CID 135831890
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782918
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135817011
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
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[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831902
ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
CID 135519700
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831714
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
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[2-(3-acetylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135700118) is [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is C[C@@H](NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccco1.
What is the InChIKey of [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is ZSBRJWOBHZKTLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12(15-7-4-10-26-15)20-17(23)11-27-18(24)9-8-16-21-14-6-3-2-5-13(14)19(25)22-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)(H,21,22,25)/t12-/m1/s1.
What are the key properties of [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 369.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135700118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).