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

C22H34N4O2 — CID 26403155

IUPACN-[(5R)-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)ncc2[C@H](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)/t16-/m1/s1
InChIKeyHKOKNBKNPGQBAI-MRXNPFEDSA-N
MW386.54 g/mol
LogP3.31
Rot. Bonds5

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

N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 26403155) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID26403155
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[(5R)-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)ncc2[C@H](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)/t16-/m1/s1
InChIKeyHKOKNBKNPGQBAI-MRXNPFEDSA-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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Related Compounds

N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 46955296
2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride
CID 154898148
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 42459358
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 42216860
N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 25366356
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide
CID 72905511
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321368
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321370
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 58033753
2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 78886059
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide;molecular hydrogen
CID 158833215
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)butanamide
CID 110238760

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 26403155) is N-[(5R)-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-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(5R)-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)ncc2[C@H](NC(=O)CCCN2CCCC2=O)C1.
What is the InChIKey of N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is HKOKNBKNPGQBAI-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(5R)-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-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 26403155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).