2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one

C14H15N5O2 — CID 136925362

IUPAC2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
SMILESCOCCc1[nH]nc(N)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H15N5O2/c1-21-7-6-10-11(12(15)19-18-10)13-16-9-5-3-2-4-8(9)14(20)17-13/h2-5H,6-7H2,1H3,(H3,15,18,19)(H,16,17,20)
InChIKeyODLSLJWHQQPVND-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.08
Rot. Bonds4

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

2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one (PubChem CID 136925362) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
PubChem CID136925362
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
SMILESCOCCc1[nH]nc(N)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H15N5O2/c1-21-7-6-10-11(12(15)19-18-10)13-16-9-5-3-2-4-8(9)14(20)17-13/h2-5H,6-7H2,1H3,(H3,15,18,19)(H,16,17,20)
InChIKeyODLSLJWHQQPVND-UHFFFAOYSA-N
XLogP1.08
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925358
2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one
CID 135958434
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one
CID 136925309
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551002
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-methoxyethyl N-[(Z)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]carbamate
CID 135401356
2-[2-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one
CID 162668702

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one (CID 136925362) is 2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one is COCCc1[nH]nc(N)c1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one?
The InChIKey is ODLSLJWHQQPVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-21-7-6-10-11(12(15)19-18-10)13-16-9-5-3-2-4-8(9)14(20)17-13/h2-5H,6-7H2,1H3,(H3,15,18,19)(H,16,17,20).
What are the key properties of 2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one?
2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one has a molecular weight of 285.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136925362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).