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

C16H17N3O2 — CID 135751357

IUPAC2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
SMILESC[C@@H](N[C@H](C)c1ccco1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10(14-8-5-9-21-14)17-11(2)15-18-13-7-4-3-6-12(13)16(20)19-15/h3-11,17H,1-2H3,(H,18,19,20)/t10-,11-/m1/s1
InChIKeyLHYVENXEIFEPAD-GHMZBOCLSA-N
MW283.33 g/mol
LogP2.93
Rot. Bonds4

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

2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one (PubChem CID 135751357) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
PubChem CID135751357
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
SMILESC[C@@H](N[C@H](C)c1ccco1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10(14-8-5-9-21-14)17-11(2)15-18-13-7-4-3-6-12(13)16(20)19-15/h3-11,17H,1-2H3,(H,18,19,20)/t10-,11-/m1/s1
InChIKeyLHYVENXEIFEPAD-GHMZBOCLSA-N
XLogP2.93
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751350
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-[(1R)-1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767554
2-[(1R)-1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767552
2-[(1R)-1-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751381
2-[(1S)-1-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751377
2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137303959
2-[(1R)-1-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809073
2-[(1S)-1-[[(S)-(4-methylphenyl)-phenylmethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809538
2-[(1S)-1-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809496
2-[(1S)-1-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809498

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one (CID 135751357) is 2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one is C[C@@H](N[C@H](C)c1ccco1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is LHYVENXEIFEPAD-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(14-8-5-9-21-14)17-11(2)15-18-13-7-4-3-6-12(13)16(20)19-15/h3-11,17H,1-2H3,(H,18,19,20)/t10-,11-/m1/s1.
What are the key properties of 2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one?
2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 283.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135751357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).