4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one

C19H25N3O — CID 138058047

IUPAC4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one
SMILESCC(C)(C)c1ccn(CCN2CCCc3ccccc32)c(=O)n1
InChIInChI=1S/C19H25N3O/c1-19(2,3)17-10-12-22(18(23)20-17)14-13-21-11-6-8-15-7-4-5-9-16(15)21/h4-5,7,9-10,12H,6,8,11,13-14H2,1-3H3
InChIKeyIGGFBVZIAXWDHM-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.99
Rot. Bonds3

About 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one

4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one (PubChem CID 138058047) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one
PubChem CID138058047
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one
SMILESCC(C)(C)c1ccn(CCN2CCCc3ccccc32)c(=O)n1
InChIInChI=1S/C19H25N3O/c1-19(2,3)17-10-12-22(18(23)20-17)14-13-21-11-6-8-15-7-4-5-9-16(15)21/h4-5,7,9-10,12H,6,8,11,13-14H2,1-3H3
InChIKeyIGGFBVZIAXWDHM-UHFFFAOYSA-N
XLogP2.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one?
The IUPAC name of 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one (CID 138058047) is 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one is CC(C)(C)c1ccn(CCN2CCCc3ccccc32)c(=O)n1.
What is the InChIKey of 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one?
The InChIKey is IGGFBVZIAXWDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-19(2,3)17-10-12-22(18(23)20-17)14-13-21-11-6-8-15-7-4-5-9-16(15)21/h4-5,7,9-10,12H,6,8,11,13-14H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one?
4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one has a molecular weight of 311.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one is sourced from PubChem (CID 138058047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).