5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide

C22H25N5O3 — CID 134086369

IUPAC5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)NN1
InChIInChI=1S/C22H25N5O3/c1-13(2)27-12-23-17-9-8-14(10-16(17)22(27)29)24-21(28)19-11-18(25-26-19)15-6-4-5-7-20(15)30-3/h4-10,12-13,18-19,25-26H,11H2,1-3H3,(H,24,28)
InChIKeyCEQZGUNLFOHIOS-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.53
Rot. Bonds5

About 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide

5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide (PubChem CID 134086369) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide
PubChem CID134086369
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)NN1
InChIInChI=1S/C22H25N5O3/c1-13(2)27-12-23-17-9-8-14(10-16(17)22(27)29)24-21(28)19-11-18(25-26-19)15-6-4-5-7-20(15)30-3/h4-10,12-13,18-19,25-26H,11H2,1-3H3,(H,24,28)
InChIKeyCEQZGUNLFOHIOS-UHFFFAOYSA-N
XLogP2.53
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide
CID 134126389
2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide
CID 75464700
N-(4-oxo-3-propan-2-ylquinazolin-6-yl)furan-2-carboxamide
CID 71700947
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605721
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 134127389
5-(2-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazolidine-3-carboxamide
CID 78153904
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
CID 133108835
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 134086106

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide (CID 134086369) is 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide is COc1ccccc1C1CC(C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)NN1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide?
The InChIKey is CEQZGUNLFOHIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13(2)27-12-23-17-9-8-14(10-16(17)22(27)29)24-21(28)19-11-18(25-26-19)15-6-4-5-7-20(15)30-3/h4-10,12-13,18-19,25-26H,11H2,1-3H3,(H,24,28).
What are the key properties of 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide?
5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134086369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).