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

C17H21N5O — CID 136857266

IUPAC2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESCc1cnn(C[C@H](C)N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H21N5O/c1-11-8-18-22(9-11)10-12(2)19-13(3)16-20-15-7-5-4-6-14(15)17(23)21-16/h4-9,12-13,19H,10H2,1-3H3,(H,20,21,23)/t12-,13+/m0/s1
InChIKeyGSNPPOFKOXMBBS-QWHCGFSZSA-N
MW311.39 g/mol
LogP2.17
Rot. Bonds5

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

2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one (PubChem CID 136857266) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one
PubChem CID136857266
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESCc1cnn(C[C@H](C)N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H21N5O/c1-11-8-18-22(9-11)10-12(2)19-13(3)16-20-15-7-5-4-6-14(15)17(23)21-16/h4-9,12-13,19H,10H2,1-3H3,(H,20,21,23)/t12-,13+/m0/s1
InChIKeyGSNPPOFKOXMBBS-QWHCGFSZSA-N
XLogP2.17
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[(1R)-1-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 136857265
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
2-[(1S)-1-[[(S)-(4-methylphenyl)-phenylmethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809538
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
2-[(1S)-1-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 137048430
2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136885620
2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137303959
2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751357
2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one
CID 135737118
2-[(1R)-1-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751381
2-[(1R)-1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767554

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one (CID 136857266) is 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one is Cc1cnn(C[C@H](C)N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is GSNPPOFKOXMBBS-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-8-18-22(9-11)10-12(2)19-13(3)16-20-15-7-5-4-6-14(15)17(23)21-16/h4-9,12-13,19H,10H2,1-3H3,(H,20,21,23)/t12-,13+/m0/s1.
What are the key properties of 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one?
2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 311.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136857266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).