N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine

C23H28N4O3 — CID 90248877

IUPACN-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1cc2nc(C3CC3)nc(NCCN(C)c3ccccc3OC)c2cc1OC
InChIInChI=1S/C23H28N4O3/c1-27(18-7-5-6-8-19(18)28-2)12-11-24-23-16-13-20(29-3)21(30-4)14-17(16)25-22(26-23)15-9-10-15/h5-8,13-15H,9-12H2,1-4H3,(H,24,25,26)
InChIKeyLLASMRKXTBXARL-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.08
Rot. Bonds9

About N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine

N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 90248877) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID90248877
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1cc2nc(C3CC3)nc(NCCN(C)c3ccccc3OC)c2cc1OC
InChIInChI=1S/C23H28N4O3/c1-27(18-7-5-6-8-19(18)28-2)12-11-24-23-16-13-20(29-3)21(30-4)14-17(16)25-22(26-23)15-9-10-15/h5-8,13-15H,9-12H2,1-4H3,(H,24,25,26)
InChIKeyLLASMRKXTBXARL-UHFFFAOYSA-N
XLogP4.08
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine (CID 90248877) is N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine is COc1cc2nc(C3CC3)nc(NCCN(C)c3ccccc3OC)c2cc1OC.
What is the InChIKey of N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is LLASMRKXTBXARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-27(18-7-5-6-8-19(18)28-2)12-11-24-23-16-13-20(29-3)21(30-4)14-17(16)25-22(26-23)15-9-10-15/h5-8,13-15H,9-12H2,1-4H3,(H,24,25,26).
What are the key properties of N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine?
N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 408.50 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 90248877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).