(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C18H26N4O2 — CID 97130107

IUPAC(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCCc2nc(C)c3c(n2)CCCC3)CC1=O
InChIInChI=1S/C18H26N4O2/c1-3-22-11-13(10-17(22)23)18(24)19-9-8-16-20-12(2)14-6-4-5-7-15(14)21-16/h13H,3-11H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyBEIZLIDUUITKMD-CYBMUJFWSA-N
MW330.43 g/mol
LogP1.19
Rot. Bonds5

About (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97130107) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97130107
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCCc2nc(C)c3c(n2)CCCC3)CC1=O
InChIInChI=1S/C18H26N4O2/c1-3-22-11-13(10-17(22)23)18(24)19-9-8-16-20-12(2)14-6-4-5-7-15(14)21-16/h13H,3-11H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyBEIZLIDUUITKMD-CYBMUJFWSA-N
XLogP1.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 97130107) is (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)NCCc2nc(C)c3c(n2)CCCC3)CC1=O.
What is the InChIKey of (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BEIZLIDUUITKMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-22-11-13(10-17(22)23)18(24)19-9-8-16-20-12(2)14-6-4-5-7-15(14)21-16/h13H,3-11H2,1-2H3,(H,19,24)/t13-/m1/s1.
What are the key properties of (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97130107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).