2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one

C16H17N3O2 — CID 136747972

IUPAC2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
SMILESC[C@H](CCc1ccco1)Nc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-11(8-9-12-5-4-10-21-12)17-16-18-14-7-3-2-6-13(14)15(20)19-16/h2-7,10-11H,8-9H2,1H3,(H2,17,18,19,20)/t11-/m1/s1
InChIKeyUUPYZBYOMSKIOM-LLVKDONJSA-N
MW283.33 g/mol
LogP2.95
Rot. Bonds5

About 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one

2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one (PubChem CID 136747972) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
PubChem CID136747972
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
SMILESC[C@H](CCc1ccco1)Nc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-11(8-9-12-5-4-10-21-12)17-16-18-14-7-3-2-6-13(14)15(20)19-16/h2-7,10-11H,8-9H2,1H3,(H2,17,18,19,20)/t11-/m1/s1
InChIKeyUUPYZBYOMSKIOM-LLVKDONJSA-N
XLogP2.95
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one with MolForge

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
CID 4516381
N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310
N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine
CID 60715726
5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
CID 78913335
(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
CID 137098064
4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136975015
(3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135624113
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831714
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one (CID 136747972) is 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one is C[C@H](CCc1ccco1)Nc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one?
The InChIKey is UUPYZBYOMSKIOM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(8-9-12-5-4-10-21-12)17-16-18-14-7-3-2-6-13(14)15(20)19-16/h2-7,10-11H,8-9H2,1H3,(H2,17,18,19,20)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one?
2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one has a molecular weight of 283.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136747972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).