1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone

C24H30N4O4 — CID 110251602

IUPAC1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1
InChIInChI=1S/C24H30N4O4/c29-23(17-26-7-11-31-12-8-26)28-6-5-18(16-28)22-15-20(19-3-1-2-4-21(19)25-22)24(30)27-9-13-32-14-10-27/h1-4,15,18H,5-14,16-17H2
InChIKeyVBUDKHCMDJYJOQ-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.36
Rot. Bonds4

About 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone

1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 110251602) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID110251602
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1
InChIInChI=1S/C24H30N4O4/c29-23(17-26-7-11-31-12-8-26)28-6-5-18(16-28)22-15-20(19-3-1-2-4-21(19)25-22)24(30)27-9-13-32-14-10-27/h1-4,15,18H,5-14,16-17H2
InChIKeyVBUDKHCMDJYJOQ-UHFFFAOYSA-N
XLogP1.36
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
1-[(3S)-3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 92636312
morpholin-4-yl-[2-[(2S)-4-propylmorpholin-2-yl]quinolin-4-yl]methanone
CID 92639103
[2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 92638888
(2-cyclopropylquinolin-4-yl)-[(6S)-6-hydroxy-1,4-oxazepan-4-yl]methanone
CID 97434231
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
1-[3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone
CID 110251561
2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55448995
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
morpholin-4-yl-(2-morpholin-2-ylquinolin-4-yl)methanone
CID 110089333
[2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 110251874

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 110251602) is 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCC(c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1.
What is the InChIKey of 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is VBUDKHCMDJYJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-23(17-26-7-11-31-12-8-26)28-6-5-18(16-28)22-15-20(19-3-1-2-4-21(19)25-22)24(30)27-9-13-32-14-10-27/h1-4,15,18H,5-14,16-17H2.
What are the key properties of 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 438.53 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 110251602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).