(3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one

C24H27N5O2 — CID 162676330

IUPAC(3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
SMILESCOc1ccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)cc1
InChIInChI=1S/C24H27N5O2/c1-15(2)29-16(3)23(30)28(4)21-11-8-18(14-22(21)29)26-24-25-13-12-20(27-24)17-6-9-19(31-5)10-7-17/h6-16H,1-5H3,(H,25,26,27)/t16-/m1/s1
InChIKeyCWFHEZJBBZREBT-MRXNPFEDSA-N
MW417.51 g/mol
LogP4.48
Rot. Bonds5

About (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one

(3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 162676330) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
PubChem CID162676330
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name(3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
SMILESCOc1ccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)cc1
InChIInChI=1S/C24H27N5O2/c1-15(2)29-16(3)23(30)28(4)21-11-8-18(14-22(21)29)26-24-25-13-12-20(27-24)17-6-9-19(31-5)10-7-17/h6-16H,1-5H3,(H,25,26,27)/t16-/m1/s1
InChIKeyCWFHEZJBBZREBT-MRXNPFEDSA-N
XLogP4.48
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Aminoquinazoline 14
CID 5330312
2-Aminoquinazoline 22
CID 5330320
2-Aminoquinazoline 23
CID 5330321
2-Aminoquinazoline 13
CID 5330330
2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45268652
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
12-Benzyl-4-(4-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11825216
1-[(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-14-yl]-2-(propan-2-ylamino)ethanone
CID 16739812
(R)-2-amino-3-(4-methoxyphenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52941495
2-[3-(3,4-Dimethoxyphenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 53628878

Frequently Asked Questions

What is the IUPAC name of (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one (CID 162676330) is (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one is COc1ccc(-c2ccnc(Nc3ccc4c(c3)N(C(C)C)[C@H](C)C(=O)N4C)n2)cc1.
What is the InChIKey of (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is CWFHEZJBBZREBT-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15(2)29-16(3)23(30)28(4)21-11-8-18(14-22(21)29)26-24-25-13-12-20(27-24)17-6-9-19(31-5)10-7-17/h6-16H,1-5H3,(H,25,26,27)/t16-/m1/s1.
What are the key properties of (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?
(3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 417.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 162676330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).