N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide

C22H29N3O2 — CID 72905511

IUPACN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c(O)c1
InChIInChI=1S/C22H29N3O2/c1-13-7-8-14(18(26)9-13)19(27)24-16-10-22(5,6)11-17-15(16)12-23-20(25-17)21(2,3)4/h7-9,12,16,26H,10-11H2,1-6H3,(H,24,27)
InChIKeyDVEDVZBSLMQXQC-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.23
Rot. Bonds2

About N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide

N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide (PubChem CID 72905511) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide
PubChem CID72905511
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c(O)c1
InChIInChI=1S/C22H29N3O2/c1-13-7-8-14(18(26)9-13)19(27)24-16-10-22(5,6)11-17-15(16)12-23-20(25-17)21(2,3)4/h7-9,12,16,26H,10-11H2,1-6H3,(H,24,27)
InChIKeyDVEDVZBSLMQXQC-UHFFFAOYSA-N
XLogP4.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide with MolForge

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Related Compounds

N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide
CID 97142240
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 97150544
2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride
CID 154898148
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide
CID 45229198
2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45220491
N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 26403155
2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45251389
N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 25461451
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide
CID 110237676
2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45214393
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-[(5S)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 97123124

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide (CID 72905511) is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c(O)c1.
What is the InChIKey of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide?
The InChIKey is DVEDVZBSLMQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-13-7-8-14(18(26)9-13)19(27)24-16-10-22(5,6)11-17-15(16)12-23-20(25-17)21(2,3)4/h7-9,12,16,26H,10-11H2,1-6H3,(H,24,27).
What are the key properties of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide?
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 72905511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).