N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide

C22H21N5O2 — CID 135667533

IUPACN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H21N5O2/c1-2-26(15-20-24-19-7-4-3-6-18(19)21(28)25-20)22(29)17-10-8-16(9-11-17)14-27-13-5-12-23-27/h3-13H,2,14-15H2,1H3,(H,24,25,28)
InChIKeyMELQZHAHCWTCME-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 135667533) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID135667533
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H21N5O2/c1-2-26(15-20-24-19-7-4-3-6-18(19)21(28)25-20)22(29)17-10-8-16(9-11-17)14-27-13-5-12-23-27/h3-13H,2,14-15H2,1H3,(H,24,25,28)
InChIKeyMELQZHAHCWTCME-UHFFFAOYSA-N
XLogP2.83
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(pyrazol-1-ylmethyl)benzamide
CID 137309163
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 135956689
N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821098
5-bromo-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135893606
N,5-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135896382
N-benzyl-4-(methylsulfanylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135910063
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135821016
N-benzyl-3,4-diethoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135875437
N-ethyl-3-(methylsulfanylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821232
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
3-chloro-5-ethoxy-N-ethyl-4-hydroxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 136935245
3-ethoxy-N-ethyl-4-(2-methylpropoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821138

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 135667533) is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is MELQZHAHCWTCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-2-26(15-20-24-19-7-4-3-6-18(19)21(28)25-20)22(29)17-10-8-16(9-11-17)14-27-13-5-12-23-27/h3-13H,2,14-15H2,1H3,(H,24,25,28).
What are the key properties of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 387.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 135667533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).