3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one

C24H26N4O3 — CID 9453048

IUPAC3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESO=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)N1CCCc2ccccc21
InChIInChI=1S/C24H26N4O3/c29-23(27-11-5-7-18-6-1-4-10-21(18)27)17-28-22(16-26-12-14-31-15-13-26)25-20-9-3-2-8-19(20)24(28)30/h1-4,6,8-10H,5,7,11-17H2
InChIKeyGSMFDKPHXXQWQA-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.21
Rot. Bonds4

About 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one (PubChem CID 9453048) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one
PubChem CID9453048
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESO=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)N1CCCc2ccccc21
InChIInChI=1S/C24H26N4O3/c29-23(27-11-5-7-18-6-1-4-10-21(18)27)17-28-22(16-26-12-14-31-15-13-26)25-20-9-3-2-8-19(20)24(28)30/h1-4,6,8-10H,5,7,11-17H2
InChIKeyGSMFDKPHXXQWQA-UHFFFAOYSA-N
XLogP2.21
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one (CID 9453048) is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one is O=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)N1CCCc2ccccc21.
What is the InChIKey of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The InChIKey is GSMFDKPHXXQWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(27-11-5-7-18-6-1-4-10-21(18)27)17-28-22(16-26-12-14-31-15-13-26)25-20-9-3-2-8-19(20)24(28)30/h1-4,6,8-10H,5,7,11-17H2.
What are the key properties of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one has a molecular weight of 418.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 9453048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).