(4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one

C17H25N3O2 — CID 124849414

IUPAC(4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2nc(C)c3c(n2)CCCC3)CC1=O
InChIInChI=1S/C17H25N3O2/c1-12-14-5-3-4-6-15(14)19-16(18-12)9-13-10-17(21)20(11-13)7-8-22-2/h13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyOQCGVUFXRHGLAM-ZDUSSCGKSA-N
MW303.41 g/mol
LogP1.70
Rot. Bonds5

About (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one

(4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one (PubChem CID 124849414) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one
PubChem CID124849414
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2nc(C)c3c(n2)CCCC3)CC1=O
InChIInChI=1S/C17H25N3O2/c1-12-14-5-3-4-6-15(14)19-16(18-12)9-13-10-17(21)20(11-13)7-8-22-2/h13H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyOQCGVUFXRHGLAM-ZDUSSCGKSA-N
XLogP1.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one (CID 124849414) is (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one is COCCN1C[C@@H](Cc2nc(C)c3c(n2)CCCC3)CC1=O.
What is the InChIKey of (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is OQCGVUFXRHGLAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-14-5-3-4-6-15(14)19-16(18-12)9-13-10-17(21)20(11-13)7-8-22-2/h13H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one?
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 124849414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).