(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone

C27H26FN5O2 — CID 90176051

IUPAC(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
SMILESO=C(c1cn2c(-c3cccc(CN4CCOCC4)c3)cnc2cn1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C27H26FN5O2/c28-22-6-7-24-21(14-22)5-2-8-32(24)27(34)23-18-33-25(15-30-26(33)16-29-23)20-4-1-3-19(13-20)17-31-9-11-35-12-10-31/h1,3-4,6-7,13-16,18H,2,5,8-12,17H2
InChIKeyJNJKPSRVKIQTKU-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.96
Rot. Bonds4

About (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone

(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone (PubChem CID 90176051) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
PubChem CID90176051
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
SMILESO=C(c1cn2c(-c3cccc(CN4CCOCC4)c3)cnc2cn1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C27H26FN5O2/c28-22-6-7-24-21(14-22)5-2-8-32(24)27(34)23-18-33-25(15-30-26(33)16-29-23)20-4-1-3-19(13-20)17-31-9-11-35-12-10-31/h1,3-4,6-7,13-16,18H,2,5,8-12,17H2
InChIKeyJNJKPSRVKIQTKU-UHFFFAOYSA-N
XLogP3.96
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone
CID 90157442
4-[6-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90157767
4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide
CID 90157300
3,4-dihydro-2H-quinolin-1-yl-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]methanone
CID 109185837
5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one
CID 56857435
1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55872975
3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide
CID 89070585
[ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate
CID 87510232
3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide
CID 59321053
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 89493929
(2R)-2-[4-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]propanamide
CID 126426099

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone?
The IUPAC name of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone (CID 90176051) is (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone.
What is the SMILES notation for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone?
The canonical SMILES for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone is O=C(c1cn2c(-c3cccc(CN4CCOCC4)c3)cnc2cn1)N1CCCc2cc(F)ccc21.
What is the InChIKey of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone?
The InChIKey is JNJKPSRVKIQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c28-22-6-7-24-21(14-22)5-2-8-32(24)27(34)23-18-33-25(15-30-26(33)16-29-23)20-4-1-3-19(13-20)17-31-9-11-35-12-10-31/h1,3-4,6-7,13-16,18H,2,5,8-12,17H2.
What are the key properties of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone?
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone has a molecular weight of 471.54 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]methanone is sourced from PubChem (CID 90176051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).