(2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

C26H30N4O2 — CID 40972699

IUPAC(2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(Cn2nc(C)c([C@@H]3Nc4ccccc4C(=O)N3C[C@H]3CCCO3)c2C)cc1
InChIInChI=1S/C26H30N4O2/c1-17-10-12-20(13-11-17)15-30-19(3)24(18(2)28-30)25-27-23-9-5-4-8-22(23)26(31)29(25)16-21-7-6-14-32-21/h4-5,8-13,21,25,27H,6-7,14-16H2,1-3H3/t21-,25-/m1/s1
InChIKeyVKEZAMPQFMZIOO-PXDATVDWSA-N
MW430.55 g/mol
LogP4.60
Rot. Bonds5

About (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

(2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (PubChem CID 40972699) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
PubChem CID40972699
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(Cn2nc(C)c([C@@H]3Nc4ccccc4C(=O)N3C[C@H]3CCCO3)c2C)cc1
InChIInChI=1S/C26H30N4O2/c1-17-10-12-20(13-11-17)15-30-19(3)24(18(2)28-30)25-27-23-9-5-4-8-22(23)26(31)29(25)16-21-7-6-14-32-21/h4-5,8-13,21,25,27H,6-7,14-16H2,1-3H3/t21-,25-/m1/s1
InChIKeyVKEZAMPQFMZIOO-PXDATVDWSA-N
XLogP4.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 9296902
(2R)-2-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41024222
(2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25359987
(2S)-2-(3-methylthiophen-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41024171
(2R)-2-(4-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384441
(2R)-2-(3-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 95167778
(2R)-2-(5-methylthiophen-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41198777
(2S)-2-(5-methylthiophen-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41198775
(2R)-2-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]-3-[(4-methylphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41218859
(2R)-2-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038616
(2R)-2-naphthalen-1-yl-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 26638752
2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (CID 40972699) is (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is Cc1ccc(Cn2nc(C)c([C@@H]3Nc4ccccc4C(=O)N3C[C@H]3CCCO3)c2C)cc1.
What is the InChIKey of (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is VKEZAMPQFMZIOO-PXDATVDWSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17-10-12-20(13-11-17)15-30-19(3)24(18(2)28-30)25-27-23-9-5-4-8-22(23)26(31)29(25)16-21-7-6-14-32-21/h4-5,8-13,21,25,27H,6-7,14-16H2,1-3H3/t21-,25-/m1/s1.
What are the key properties of (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
(2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 430.55 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 40972699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).