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

C17H23N5O2 — CID 54080981

IUPAC4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc2c(N)nc(NCC3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C17H23N5O2/c1-24-13-4-2-3-12-14(13)21-17(22-15(12)18)20-9-10-5-7-11(8-6-10)16(19)23/h2-4,10-11H,5-9H2,1H3,(H2,19,23)(H3,18,20,21,22)
InChIKeyMNCDDACIZPKVJG-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.92
Rot. Bonds5

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

4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide (PubChem CID 54080981) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
PubChem CID54080981
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc2c(N)nc(NCC3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C17H23N5O2/c1-24-13-4-2-3-12-14(13)21-17(22-15(12)18)20-9-10-5-7-11(8-6-10)16(19)23/h2-4,10-11H,5-9H2,1H3,(H2,19,23)(H3,18,20,21,22)
InChIKeyMNCDDACIZPKVJG-UHFFFAOYSA-N
XLogP1.92
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide (CID 54080981) is 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide is COc1cccc2c(N)nc(NCC3CCC(C(N)=O)CC3)nc12.
What is the InChIKey of 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is MNCDDACIZPKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-13-4-2-3-12-14(13)21-17(22-15(12)18)20-9-10-5-7-11(8-6-10)16(19)23/h2-4,10-11H,5-9H2,1H3,(H2,19,23)(H3,18,20,21,22).
What are the key properties of 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 54080981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).