N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide

C63H68N12O — CID 158436803

IUPACN-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)CC1.Cn1ccc2ccc(-c3cc(NC(c4cccnc4)C4CCCCC4)cc4nccnc34)cc21
InChIInChI=1S/C34H39N7O.C29H29N5/c1-4-41(5-2)32(42)23-40-17-11-25(12-18-40)33(27-7-6-13-35-22-27)38-28-20-29(34-30(21-28)36-14-15-37-34)26-9-8-24-10-16-39(3)31(24)19-26;1-34-15-11-20-9-10-22(16-27(20)34)25-17-24(18-26-29(25)32-14-13-31-26)33-28(21-6-3-2-4-7-21)23-8-5-12-30-19-23/h6-10,13-16,19-22,25,33,38H,4-5,11-12,17-18,23H2,1-3H3;5,8-19,21,28,33H,2-4,6-7H2,1H3
InChIKeyHCIDDZCLPRTKIS-UHFFFAOYSA-N
MW1009.32 g/mol
LogP12.83
Rot. Bonds14

About N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide

N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide (PubChem CID 158436803) has the molecular formula C63H68N12O and a molecular weight of 1009.32 g/mol. Its IUPAC name is N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide
PubChem CID158436803
Molecular FormulaC63H68N12O
Molecular Weight1009.32 g/mol
Exact Mass1008.56
IUPAC NameN-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)CC1.Cn1ccc2ccc(-c3cc(NC(c4cccnc4)C4CCCCC4)cc4nccnc34)cc21
InChIInChI=1S/C34H39N7O.C29H29N5/c1-4-41(5-2)32(42)23-40-17-11-25(12-18-40)33(27-7-6-13-35-22-27)38-28-20-29(34-30(21-28)36-14-15-37-34)26-9-8-24-10-16-39(3)31(24)19-26;1-34-15-11-20-9-10-22(16-27(20)34)25-17-24(18-26-29(25)32-14-13-31-26)33-28(21-6-3-2-4-7-21)23-8-5-12-30-19-23/h6-10,13-16,19-22,25,33,38H,4-5,11-12,17-18,23H2,1-3H3;5,8-19,21,28,33H,2-4,6-7H2,1H3
InChIKeyHCIDDZCLPRTKIS-UHFFFAOYSA-N
XLogP12.83
TPSA134.81 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.32
LogP ≤ 512.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide (CID 158436803) is N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)CC1.Cn1ccc2ccc(-c3cc(NC(c4cccnc4)C4CCCCC4)cc4nccnc34)cc21.
What is the InChIKey of N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide?
The InChIKey is HCIDDZCLPRTKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O.C29H29N5/c1-4-41(5-2)32(42)23-40-17-11-25(12-18-40)33(27-7-6-13-35-22-27)38-28-20-29(34-30(21-28)36-14-15-37-34)26-9-8-24-10-16-39(3)31(24)19-26;1-34-15-11-20-9-10-22(16-27(20)34)25-17-24(18-26-29(25)32-14-13-31-26)33-28(21-6-3-2-4-7-21)23-8-5-12-30-19-23/h6-10,13-16,19-22,25,33,38H,4-5,11-12,17-18,23H2,1-3H3;5,8-19,21,28,33H,2-4,6-7H2,1H3.
What are the key properties of N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide?
N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide has a molecular weight of 1009.32 g/mol, XLogP of 12.83, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 158436803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).