3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one

C17H19N5O2 — CID 167827892

IUPAC3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCN[C@H]1CCO[C@@H]1c1ccn[nH]1
InChIInChI=1S/C17H19N5O2/c23-17-12-3-1-2-4-13(12)19-11-22(17)9-8-18-14-6-10-24-16(14)15-5-7-20-21-15/h1-5,7,11,14,16,18H,6,8-10H2,(H,20,21)/t14-,16-/m0/s1
InChIKeyPJKXJFUNXUABKZ-HOCLYGCPSA-N
MW325.37 g/mol
LogP1.24
Rot. Bonds5

About 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one

3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one (PubChem CID 167827892) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one
PubChem CID167827892
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCN[C@H]1CCO[C@@H]1c1ccn[nH]1
InChIInChI=1S/C17H19N5O2/c23-17-12-3-1-2-4-13(12)19-11-22(17)9-8-18-14-6-10-24-16(14)15-5-7-20-21-15/h1-5,7,11,14,16,18H,6,8-10H2,(H,20,21)/t14-,16-/m0/s1
InChIKeyPJKXJFUNXUABKZ-HOCLYGCPSA-N
XLogP1.24
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one with MolForge

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 47083211
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55729811
3-[2-(3,3-dimethylbutylamino)ethyl]quinazolin-4-one
CID 62562143
3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313
N-[(4aR,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 124877599

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one (CID 167827892) is 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one is O=c1c2ccccc2ncn1CCN[C@H]1CCO[C@@H]1c1ccn[nH]1.
What is the InChIKey of 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one?
The InChIKey is PJKXJFUNXUABKZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-17-12-3-1-2-4-13(12)19-11-22(17)9-8-18-14-6-10-24-16(14)15-5-7-20-21-15/h1-5,7,11,14,16,18H,6,8-10H2,(H,20,21)/t14-,16-/m0/s1.
What are the key properties of 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one?
3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one is sourced from PubChem (CID 167827892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).