N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide

C22H36N4O — CID 51903676

IUPACN-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)N[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)CC1
InChIInChI=1S/C22H36N4O/c1-21(2,3)20-23-14-16-17(12-22(4,5)13-18(16)25-20)24-19(27)11-15-7-9-26(6)10-8-15/h14-15,17H,7-13H2,1-6H3,(H,24,27)/t17-/m0/s1
InChIKeyCRUJUXDNAKTYBK-KRWDZBQOSA-N
MW372.56 g/mol
LogP3.64
Rot. Bonds3

About N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide

N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 51903676) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID51903676
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC NameN-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)N[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)CC1
InChIInChI=1S/C22H36N4O/c1-21(2,3)20-23-14-16-17(12-22(4,5)13-18(16)25-20)24-19(27)11-15-7-9-26(6)10-8-15/h14-15,17H,7-13H2,1-6H3,(H,24,27)/t17-/m0/s1
InChIKeyCRUJUXDNAKTYBK-KRWDZBQOSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide (CID 51903676) is N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(CC(=O)N[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)CC1.
What is the InChIKey of N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is CRUJUXDNAKTYBK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H36N4O/c1-21(2,3)20-23-14-16-17(12-22(4,5)13-18(16)25-20)24-19(27)11-15-7-9-26(6)10-8-15/h14-15,17H,7-13H2,1-6H3,(H,24,27)/t17-/m0/s1.
What are the key properties of N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide?
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 372.56 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 51903676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).