N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide

C25H31N7O4 — CID 139342811

IUPACN-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
SMILESCNC(=O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)n1
InChIInChI=1S/C25H31N7O4/c1-26-24(34)19-7-8-27-25(30-19)29-16-3-5-18(6-4-16)36-21-14-17(32-9-11-35-12-10-32)13-20-23(21)31(2)22(33)15-28-20/h7-8,13-16,18H,3-6,9-12H2,1-2H3,(H,26,34)(H,27,29,30)
InChIKeyQVIHEDVZIOHKFC-UHFFFAOYSA-N
MW493.57 g/mol
LogP1.72
Rot. Bonds6

About N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide

N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide (PubChem CID 139342811) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
PubChem CID139342811
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC NameN-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
SMILESCNC(=O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)n1
InChIInChI=1S/C25H31N7O4/c1-26-24(34)19-7-8-27-25(30-19)29-16-3-5-18(6-4-16)36-21-14-17(32-9-11-35-12-10-32)13-20-23(21)31(2)22(33)15-28-20/h7-8,13-16,18H,3-6,9-12H2,1-2H3,(H,26,34)(H,27,29,30)
InChIKeyQVIHEDVZIOHKFC-UHFFFAOYSA-N
XLogP1.72
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide (CID 139342811) is N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide is CNC(=O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)n1.
What is the InChIKey of N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide?
The InChIKey is QVIHEDVZIOHKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-26-24(34)19-7-8-27-25(30-19)29-16-3-5-18(6-4-16)36-21-14-17(32-9-11-35-12-10-32)13-20-23(21)31(2)22(33)15-28-20/h7-8,13-16,18H,3-6,9-12H2,1-2H3,(H,26,34)(H,27,29,30).
What are the key properties of N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide?
N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 139342811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).