(3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C18H19N3O3 — CID 135624113

IUPAC(3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESC[C@@H](CC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N3O3/c1-12(10-17(22)19-11-13-5-4-8-24-13)9-16-20-15-7-3-2-6-14(15)18(23)21-16/h2-8,12H,9-11H2,1H3,(H,19,22)(H,20,21,23)/t12-/m1/s1
InChIKeyAGTGPVXXJGDOLT-GFCCVEGCSA-N
MW325.37 g/mol
LogP2.40
Rot. Bonds6

About (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

(3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135624113) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135624113
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESC[C@@H](CC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N3O3/c1-12(10-17(22)19-11-13-5-4-8-24-13)9-16-20-15-7-3-2-6-14(15)18(23)21-16/h2-8,12H,9-11H2,1H3,(H,19,22)(H,20,21,23)/t12-/m1/s1
InChIKeyAGTGPVXXJGDOLT-GFCCVEGCSA-N
XLogP2.40
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide with MolForge

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Related Compounds

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831714
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 135809140
N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809310
2-(2-methylpentyl)-3H-quinazolin-4-one
CID 136798516
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
[(1S)-1-(furan-2-yl)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751338
2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
CID 136747972
N-(furan-2-ylmethyl)-2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
CID 51087508
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135700118
(2R)-N-(furan-2-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421293
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137098586

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135624113) is (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is C[C@@H](CC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is AGTGPVXXJGDOLT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(10-17(22)19-11-13-5-4-8-24-13)9-16-20-15-7-3-2-6-14(15)18(23)21-16/h2-8,12H,9-11H2,1H3,(H,19,22)(H,20,21,23)/t12-/m1/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
(3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 325.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135624113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).