8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C44H54ClN5O3 — CID 18461230

IUPAC8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12.CCC(CO)Oc1cc(C)nc2c1NC(=O)CN2c1c(C)cc(C)cc1C
InChIInChI=1S/C23H27ClN2.C21H27N3O3/c1-6-18(7-2)26-21-13-16(5)25-23-19(21)9-8-10-20(23)22-14(3)11-17(24)12-15(22)4;1-6-16(11-25)27-17-9-15(5)22-21-19(17)23-18(26)10-24(21)20-13(3)7-12(2)8-14(20)4/h8-13,18H,6-7H2,1-5H3,(H,25,26);7-9,16,25H,6,10-11H2,1-5H3,(H,23,26)
InChIKeyXOINDYMAKQKSKG-UHFFFAOYSA-N
MW736.40 g/mol
LogP10.64
Rot. Bonds10

About 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 18461230) has the molecular formula C44H54ClN5O3 and a molecular weight of 736.40 g/mol. Its IUPAC name is 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID18461230
Molecular FormulaC44H54ClN5O3
Molecular Weight736.40 g/mol
Exact Mass735.39
IUPAC Name8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12.CCC(CO)Oc1cc(C)nc2c1NC(=O)CN2c1c(C)cc(C)cc1C
InChIInChI=1S/C23H27ClN2.C21H27N3O3/c1-6-18(7-2)26-21-13-16(5)25-23-19(21)9-8-10-20(23)22-14(3)11-17(24)12-15(22)4;1-6-16(11-25)27-17-9-15(5)22-21-19(17)23-18(26)10-24(21)20-13(3)7-12(2)8-14(20)4/h8-13,18H,6-7H2,1-5H3,(H,25,26);7-9,16,25H,6,10-11H2,1-5H3,(H,23,26)
InChIKeyXOINDYMAKQKSKG-UHFFFAOYSA-N
XLogP10.64
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.40
LogP ≤ 510.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one with MolForge

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Related Compounds

2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol
CID 174372855
1-(4-chloro-2,6-dimethylphenyl)-7-methyl-5-pentan-3-yloxy-2H-pyrido[2,3-d][1,3]oxazin-4-one
CID 11315252
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
CID 57253961
8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline
CID 18461214
4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-8-carboxylic acid
CID 7138156
(NZ)-N-[1-[8-(4-chloro-2,6-dimethylphenyl)-2-methylquinolin-4-yl]propylidene]hydroxylamine
CID 135407043
4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentan-3-yloxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 10136780
2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine
CID 22474412
1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine
CID 22474336
methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate
CID 24806876
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-(2,2,2-trifluoroethyl)quinoline
CID 91279662
1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine
CID 22474345

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 18461230) is 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12.CCC(CO)Oc1cc(C)nc2c1NC(=O)CN2c1c(C)cc(C)cc1C.
What is the InChIKey of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is XOINDYMAKQKSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2.C21H27N3O3/c1-6-18(7-2)26-21-13-16(5)25-23-19(21)9-8-10-20(23)22-14(3)11-17(24)12-15(22)4;1-6-16(11-25)27-17-9-15(5)22-21-19(17)23-18(26)10-24(21)20-13(3)7-12(2)8-14(20)4/h8-13,18H,6-7H2,1-5H3,(H,25,26);7-9,16,25H,6,10-11H2,1-5H3,(H,23,26).
What are the key properties of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 736.40 g/mol, XLogP of 10.64, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 18461230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).