N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide

C23H29N5O4 — CID 46878170

IUPACN-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide
SMILESCOc1cc2nc(N(C)[C@@H]3CCCCC3N(C)C(=O)c3ccco3)nc(N)c2cc1OC
InChIInChI=1S/C23H29N5O4/c1-27(22(29)18-10-7-11-32-18)16-8-5-6-9-17(16)28(2)23-25-15-13-20(31-4)19(30-3)12-14(15)21(24)26-23/h7,10-13,16-17H,5-6,8-9H2,1-4H3,(H2,24,25,26)/t16?,17-/m1/s1
InChIKeyHZNHGMXFMGRNNC-ZYMOGRSISA-N
MW439.52 g/mol
LogP3.34
Rot. Bonds6

About N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide

N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide (PubChem CID 46878170) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide
PubChem CID46878170
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC NameN-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide
SMILESCOc1cc2nc(N(C)[C@@H]3CCCCC3N(C)C(=O)c3ccco3)nc(N)c2cc1OC
InChIInChI=1S/C23H29N5O4/c1-27(22(29)18-10-7-11-32-18)16-8-5-6-9-17(16)28(2)23-25-15-13-20(31-4)19(30-3)12-14(15)21(24)26-23/h7,10-13,16-17H,5-6,8-9H2,1-4H3,(H2,24,25,26)/t16?,17-/m1/s1
InChIKeyHZNHGMXFMGRNNC-ZYMOGRSISA-N
XLogP3.34
TPSA106.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 42951861
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone
CID 22294025
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 46782778
[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
CID 18540710
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 10767981
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 12919466
[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone
CID 171713803
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3-tetradeuteriopiperazin-1-yl]-(furan-2-yl)methanone
CID 159765849
[4-(4-amino-6,7-dimethoxyquinazolin-3-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 6200102
[4-(1-amino-6,7-dimethoxyisoquinolin-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14068977
N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide
CID 99790377
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide (CID 46878170) is N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide is COc1cc2nc(N(C)[C@@H]3CCCCC3N(C)C(=O)c3ccco3)nc(N)c2cc1OC.
What is the InChIKey of N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide?
The InChIKey is HZNHGMXFMGRNNC-ZYMOGRSISA-N. The full InChI is InChI=1S/C23H29N5O4/c1-27(22(29)18-10-7-11-32-18)16-8-5-6-9-17(16)28(2)23-25-15-13-20(31-4)19(30-3)12-14(15)21(24)26-23/h7,10-13,16-17H,5-6,8-9H2,1-4H3,(H2,24,25,26)/t16?,17-/m1/s1.
What are the key properties of N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide?
N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 46878170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).