N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide

C24H29N5O2 — CID 54187986

IUPACN-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1CCC(Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C24H29N5O2/c1-31-16-22(30)25-15-17-11-13-19(14-12-17)27-24-28-21-10-6-5-9-20(21)23(29-24)26-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H,25,30)(H2,26,27,28,29)
InChIKeyPGLWSUQFUQOPLM-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.11
Rot. Bonds8

About N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide

N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide (PubChem CID 54187986) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide
PubChem CID54187986
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1CCC(Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C24H29N5O2/c1-31-16-22(30)25-15-17-11-13-19(14-12-17)27-24-28-21-10-6-5-9-20(21)23(29-24)26-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H,25,30)(H2,26,27,28,29)
InChIKeyPGLWSUQFUQOPLM-UHFFFAOYSA-N
XLogP4.11
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide (CID 54187986) is N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide is COCC(=O)NCC1CCC(Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide?
The InChIKey is PGLWSUQFUQOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-31-16-22(30)25-15-17-11-13-19(14-12-17)27-24-28-21-10-6-5-9-20(21)23(29-24)26-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H,25,30)(H2,26,27,28,29).
What are the key properties of N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide?
N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide has a molecular weight of 419.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 54187986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).