4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide

C18H25N5O3 — CID 67718379

IUPAC4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(OC)c2c(N)nc(NCC3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C18H25N5O3/c1-25-12-7-8-13(26-2)15-14(12)16(19)23-18(22-15)21-9-10-3-5-11(6-4-10)17(20)24/h7-8,10-11H,3-6,9H2,1-2H3,(H2,20,24)(H3,19,21,22,23)
InChIKeyIKBAHRIXLDNVNP-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.93
Rot. Bonds6

About 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide

4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide (PubChem CID 67718379) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
PubChem CID67718379
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(OC)c2c(N)nc(NCC3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C18H25N5O3/c1-25-12-7-8-13(26-2)15-14(12)16(19)23-18(22-15)21-9-10-3-5-11(6-4-10)17(20)24/h7-8,10-11H,3-6,9H2,1-2H3,(H2,20,24)(H3,19,21,22,23)
InChIKeyIKBAHRIXLDNVNP-UHFFFAOYSA-N
XLogP1.93
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide (CID 67718379) is 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide is COc1ccc(OC)c2c(N)nc(NCC3CCC(C(N)=O)CC3)nc12.
What is the InChIKey of 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is IKBAHRIXLDNVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-25-12-7-8-13(26-2)15-14(12)16(19)23-18(22-15)21-9-10-3-5-11(6-4-10)17(20)24/h7-8,10-11H,3-6,9H2,1-2H3,(H2,20,24)(H3,19,21,22,23).
What are the key properties of 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide?
4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-5,8-dimethoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 67718379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).