5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one

C26H31N5O2 — CID 162753608

IUPAC5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one
SMILESCc1cc2c(N3CCN(C)c4cc(C5CC5)ncc43)cc(N3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C26H31N5O2/c1-17-12-20-22(29(3)26(17)32)13-19(30-8-10-33-11-9-30)14-23(20)31-7-6-28(2)24-15-21(18-4-5-18)27-16-25(24)31/h12-16,18H,4-11H2,1-3H3
InChIKeyYUBMADIWVAARBM-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.54
Rot. Bonds3

About 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one

5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one (PubChem CID 162753608) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one.

Molecular Properties

Compound Name5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one
PubChem CID162753608
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one
SMILESCc1cc2c(N3CCN(C)c4cc(C5CC5)ncc43)cc(N3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C26H31N5O2/c1-17-12-20-22(29(3)26(17)32)13-19(30-8-10-33-11-9-30)14-23(20)31-7-6-28(2)24-15-21(18-4-5-18)27-16-25(24)31/h12-16,18H,4-11H2,1-3H3
InChIKeyYUBMADIWVAARBM-UHFFFAOYSA-N
XLogP3.54
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate
CID 162753878
[1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-2-oxoquinolin-7-yl] trifluoromethanesulfonate
CID 162753706
1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane
CID 162753841
5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one
CID 11278319
4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine
CID 139330388
N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide
CID 162753865
5,13-dimethyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 53368200
1-methyl-7-(oxolan-3-yl)-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
CID 162753971
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
4-(1-methylpyrido[3,4-d]pyridazin-7-yl)morpholine
CID 175916253
3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one
CID 134160396
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023

Frequently Asked Questions

What is the IUPAC name of 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one?
The IUPAC name of 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one (CID 162753608) is 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one.
What is the SMILES notation for 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one?
The canonical SMILES for 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one is Cc1cc2c(N3CCN(C)c4cc(C5CC5)ncc43)cc(N3CCOCC3)cc2n(C)c1=O.
What is the InChIKey of 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one?
The InChIKey is YUBMADIWVAARBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-17-12-20-22(29(3)26(17)32)13-19(30-8-10-33-11-9-30)14-23(20)31-7-6-28(2)24-15-21(18-4-5-18)27-16-25(24)31/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one?
5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one has a molecular weight of 445.57 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one is sourced from PubChem (CID 162753608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).