4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide

C23H36N6O2 — CID 67720335

IUPAC4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
SMILESCCN(CC)CCNc1nc(NCC2CCC(C(N)=O)CC2)nc2c(OC)cccc12
InChIInChI=1S/C23H36N6O2/c1-4-29(5-2)14-13-25-22-18-7-6-8-19(31-3)20(18)27-23(28-22)26-15-16-9-11-17(12-10-16)21(24)30/h6-8,16-17H,4-5,9-15H2,1-3H3,(H2,24,30)(H2,25,26,27,28)
InChIKeyRVWVMGAVTAFIAT-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.10
Rot. Bonds11

About 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide

4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide (PubChem CID 67720335) has the molecular formula C23H36N6O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
PubChem CID67720335
Molecular FormulaC23H36N6O2
Molecular Weight428.58 g/mol
Exact Mass428.29
IUPAC Name4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
SMILESCCN(CC)CCNc1nc(NCC2CCC(C(N)=O)CC2)nc2c(OC)cccc12
InChIInChI=1S/C23H36N6O2/c1-4-29(5-2)14-13-25-22-18-7-6-8-19(31-3)20(18)27-23(28-22)26-15-16-9-11-17(12-10-16)21(24)30/h6-8,16-17H,4-5,9-15H2,1-3H3,(H2,24,30)(H2,25,26,27,28)
InChIKeyRVWVMGAVTAFIAT-UHFFFAOYSA-N
XLogP3.10
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide (CID 67720335) is 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide is CCN(CC)CCNc1nc(NCC2CCC(C(N)=O)CC2)nc2c(OC)cccc12.
What is the InChIKey of 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is RVWVMGAVTAFIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O2/c1-4-29(5-2)14-13-25-22-18-7-6-8-19(31-3)20(18)27-23(28-22)26-15-16-9-11-17(12-10-16)21(24)30/h6-8,16-17H,4-5,9-15H2,1-3H3,(H2,24,30)(H2,25,26,27,28).
What are the key properties of 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide?
4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 3.10, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[2-(diethylamino)ethylamino]-8-methoxyquinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 67720335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).