N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide

C22H34N4O2 — CID 45249244

IUPACN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)CCCN2CCCC2=O)C1
InChIInChI=1S/C22H34N4O2/c1-21(2,3)20-23-14-15-16(12-22(4,5)13-17(15)25-20)24-18(27)8-6-10-26-11-7-9-19(26)28/h14,16H,6-13H2,1-5H3,(H,24,27)
InChIKeyHKOKNBKNPGQBAI-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.31
Rot. Bonds5

About N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide

N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 45249244) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID45249244
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)CCCN2CCCC2=O)C1
InChIInChI=1S/C22H34N4O2/c1-21(2,3)20-23-14-15-16(12-22(4,5)13-17(15)25-20)24-18(27)8-6-10-26-11-7-9-19(26)28/h14,16H,6-13H2,1-5H3,(H,24,27)
InChIKeyHKOKNBKNPGQBAI-UHFFFAOYSA-N
XLogP3.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide (CID 45249244) is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide is CC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)CCCN2CCCC2=O)C1.
What is the InChIKey of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is HKOKNBKNPGQBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-21(2,3)20-23-14-15-16(12-22(4,5)13-17(15)25-20)24-18(27)8-6-10-26-11-7-9-19(26)28/h14,16H,6-13H2,1-5H3,(H,24,27).
What are the key properties of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 386.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 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)-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 45249244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).