2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one

C16H19N5O2 — CID 136925369

IUPAC2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one
SMILESCCCc1nn(CCO)c(N)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H19N5O2/c1-2-5-12-13(14(17)21(20-12)8-9-22)15-18-11-7-4-3-6-10(11)16(23)19-15/h3-4,6-7,22H,2,5,8-9,17H2,1H3,(H,18,19,23)
InChIKeyIWQDTIYMODXGHX-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.31
Rot. Bonds5

About 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one

2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one (PubChem CID 136925369) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one
PubChem CID136925369
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one
SMILESCCCc1nn(CCO)c(N)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H19N5O2/c1-2-5-12-13(14(17)21(20-12)8-9-22)15-18-11-7-4-3-6-10(11)16(23)19-15/h3-4,6-7,22H,2,5,8-9,17H2,1H3,(H,18,19,23)
InChIKeyIWQDTIYMODXGHX-UHFFFAOYSA-N
XLogP1.31
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one
CID 136925309
2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925384
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135421568
2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135400710
2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925362
2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925358
2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one
CID 168552978
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-ethylsulfonyl-3H-quinazolin-4-one
CID 135760560

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one (CID 136925369) is 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one is CCCc1nn(CCO)c(N)c1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one?
The InChIKey is IWQDTIYMODXGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-5-12-13(14(17)21(20-12)8-9-22)15-18-11-7-4-3-6-10(11)16(23)19-15/h3-4,6-7,22H,2,5,8-9,17H2,1H3,(H,18,19,23).
What are the key properties of 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one?
2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one has a molecular weight of 313.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136925369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).