2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one

C20H19N5O — CID 135579792

IUPAC2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H19N5O/c1-24(12-15-11-21-25(13-15)16-7-3-2-4-8-16)14-19-22-18-10-6-5-9-17(18)20(26)23-19/h2-11,13H,12,14H2,1H3,(H,22,23,26)
InChIKeyZEWBPVJEKGDWIU-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.74
Rot. Bonds5

About 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one

2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135579792) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135579792
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H19N5O/c1-24(12-15-11-21-25(13-15)16-7-3-2-4-8-16)14-19-22-18-10-6-5-9-17(18)20(26)23-19/h2-11,13H,12,14H2,1H3,(H,22,23,26)
InChIKeyZEWBPVJEKGDWIU-UHFFFAOYSA-N
XLogP2.74
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
N,N-dimethyl-3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzenesulfonamide
CID 135535644
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135811807
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 137294411
2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135687482
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one
CID 36697142
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one (CID 135579792) is 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one is CN(Cc1cnn(-c2ccccc2)c1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is ZEWBPVJEKGDWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24(12-15-11-21-25(13-15)16-7-3-2-4-8-16)14-19-22-18-10-6-5-9-17(18)20(26)23-19/h2-11,13H,12,14H2,1H3,(H,22,23,26).
What are the key properties of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 345.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135579792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).